Authors: \"Ovg\"u \"Ozdemir, M. Tu\u{g}berk \.I\c{s}yapar, P{\i}nar Karag\"oz, Klaus Werner Schmidt, Demet Demir, N. Alpay Karag\"oz
Abstract: Modern vehicles are equipped with Electronic Control Units (ECU) that are used for controlling important vehicle functions including safety-critical operations. ECUs exchange information via in-vehicle communication buses, of which the Controller Area Network (CAN bus) is by far the most widespread representative. Problems that may occur in the vehicle's physical parts or malicious attacks may cause anomalies in the CAN traffic, impairing the correct vehicle operation. Therefore, the detection of such anomalies is vital for vehicle safety. This paper reviews the research on anomaly detection for in-vehicle networks, more specifically for the CAN bus. Our main focus is the evaluation of methods used for CAN bus anomaly detection together with the datasets used in such analysis. To provide the reader with a more comprehensive understanding of the subject, we first give a brief review of related studies on time series-based anomaly detection. Then, we conduct an extensive survey of recent deep learning-based techniques as well as conventional techniques for CAN bus anomaly detection. Our comprehensive analysis delves into anomaly detection algorithms employed in in-vehicle networks, specifically focusing on their learning paradigms, inherent strengths, and weaknesses, as well as their efficacy when applied to CAN bus datasets. Lastly, we highlight challenges and open research problems in CAN bus anomaly detection.
Authors: Guiliang Liu, Sheng Xu, Shicheng Liu, Ashish Gaurav, Sriram Ganapathi Subramanian, Pascal Poupart
Abstract: Inverse Constrained Reinforcement Learning (ICRL) is the task of inferring the implicit constraints followed by expert agents from their demonstration data. As an emerging research topic, ICRL has received considerable attention in recent years. This article presents a categorical survey of the latest advances in ICRL. It serves as a comprehensive reference for machine learning researchers and practitioners, as well as starters seeking to comprehend the definitions, advancements, and important challenges in ICRL. We begin by formally defining the problem and outlining the algorithmic framework that facilitates constraint inference across various scenarios. These include deterministic or stochastic environments, environments with limited demonstrations, and multiple agents. For each context, we illustrate the critical challenges and introduce a series of fundamental methods to tackle these issues. This survey encompasses discrete, virtual, and realistic environments for evaluating ICRL agents. We also delve into the most pertinent applications of ICRL, such as autonomous driving, robot control, and sports analytics. To stimulate continuing research, we conclude the survey with a discussion of key unresolved questions in ICRL that can effectively foster a bridge between theoretical understanding and practical industrial applications.
Authors: Muhammad Akhtar Munir, Fahad Shahbaz Khan, Salman Khan
Abstract: Accurate weather and climate modeling is critical for both scientific advancement and safeguarding communities against environmental risks. Traditional approaches rely heavily on Numerical Weather Prediction (NWP) models, which simulate energy and matter flow across Earth's systems. However, heavy computational requirements and low efficiency restrict the suitability of NWP, leading to a pressing need for enhanced modeling techniques. Neural network-based models have emerged as promising alternatives, leveraging data-driven approaches to forecast atmospheric variables. In this work, we focus on limited-area modeling and train our model specifically for localized region-level downstream tasks. As a case study, we consider the MENA region due to its unique climatic challenges, where accurate localized weather forecasting is crucial for managing water resources, agriculture and mitigating the impacts of extreme weather events. This targeted approach allows us to tailor the model's capabilities to the unique conditions of the region of interest. Our study aims to validate the effectiveness of integrating parameter-efficient fine-tuning (PEFT) methodologies, specifically Low-Rank Adaptation (LoRA) and its variants, to enhance forecast accuracy, as well as training speed, computational resource utilization, and memory efficiency in weather and climate modeling for specific regions.
Authors: Yu Huang, Sebastian Bathiany, Peter Ashwin, Niklas Boers
Abstract: Nonlinear dynamical systems exposed to changing forcing can exhibit catastrophic transitions between alternative and often markedly different states. The phenomenon of critical slowing down (CSD) can be used to anticipate such transitions if caused by a bifurcation and if the change in forcing is slow compared to the internal time scale of the system. However, in many real-world situations, these assumptions are not met and transitions can be triggered because the forcing exceeds a critical rate. For example, given the pace of anthropogenic climate change in comparison to the internal time scales of key Earth system components, such as the polar ice sheets or the Atlantic Meridional Overturning Circulation, such rate-induced tipping poses a severe risk. Moreover, depending on the realisation of random perturbations, some trajectories may transition across an unstable boundary, while others do not, even under the same forcing. CSD-based indicators generally cannot distinguish these cases of noise-induced tipping versus no tipping. This severely limits our ability to assess the risks of tipping, and to predict individual trajectories. To address this, we make a first attempt to develop a deep learning framework to predict transition probabilities of dynamical systems ahead of rate-induced transitions. Our method issues early warnings, as demonstrated on three prototypical systems for rate-induced tipping, subjected to time-varying equilibrium drift and noise perturbations. Exploiting explainable artificial intelligence methods, our framework captures the fingerprints necessary for early detection of rate-induced tipping, even in cases of long lead times. Our findings demonstrate the predictability of rate-induced and noise-induced tipping, advancing our ability to determine safe operating spaces for a broader class of dynamical systems than possible so far.
Authors: Zuheng (David), Xu, Moksh Jain, Ali Denton, Shawn Whitfield, Aniket Didolkar, Berton Earnshaw, Jason Hartford
Abstract: Pairwise interactions between perturbations to a system can provide evidence for the causal dependencies of the underlying underlying mechanisms of a system. When observations are low dimensional, hand crafted measurements, detecting interactions amounts to simple statistical tests, but it is not obvious how to detect interactions between perturbations affecting latent variables. We derive two interaction tests that are based on pairwise interventions, and show how these tests can be integrated into an active learning pipeline to efficiently discover pairwise interactions between perturbations. We illustrate the value of these tests in the context of biology, where pairwise perturbation experiments are frequently used to reveal interactions that are not observable from any single perturbation. Our tests can be run on unstructured data, such as the pixels in an image, which enables a more general notion of interaction than typical cell viability experiments, and can be run on cheaper experimental assays. We validate on several synthetic and real biological experiments that our tests are able to identify interacting pairs effectively. We evaluate our approach on a real biological experiment where we knocked out 50 pairs of genes and measured the effect with microscopy images. We show that we are able to recover significantly more known biological interactions than random search and standard active learning baselines.
Authors: Denis Tarasov, Anja Surina, Caglar Gulcehre
Abstract: Deep learning regularization techniques, such as \emph{dropout}, \emph{layer normalization}, or \emph{weight decay}, are widely adopted in the construction of modern artificial neural networks, often resulting in more robust training processes and improved generalization capabilities. However, in the domain of \emph{Reinforcement Learning} (RL), the application of these techniques has been limited, usually applied to value function estimators \citep{hiraoka2021dropout, smith2022walk}, and may result in detrimental effects. This issue is even more pronounced in offline RL settings, which bear greater similarity to supervised learning but have received less attention. Recent work in continuous offline RL has demonstrated that while we can build sufficiently powerful critic networks, the generalization of actor networks remains a bottleneck. In this study, we empirically show that applying standard regularization techniques to actor networks in offline RL actor-critic algorithms yields improvements of 6\% on average across two algorithms and three different continuous D4RL domains.
Authors: Maxime Kawawa-Beaudan, Srijan Sood, Soham Palande, Ganapathy Mani, Tucker Balch, Manuela Veloso
Abstract: We present a lightweight approach to sequence classification using Ensemble Methods for Hidden Markov Models (HMMs). HMMs offer significant advantages in scenarios with imbalanced or smaller datasets due to their simplicity, interpretability, and efficiency. These models are particularly effective in domains such as finance and biology, where traditional methods struggle with high feature dimensionality and varied sequence lengths. Our ensemble-based scoring method enables the comparison of sequences of any length and improves performance on imbalanced datasets. This study focuses on the binary classification problem, particularly in scenarios with data imbalance, where the negative class is the majority (e.g., normal data) and the positive class is the minority (e.g., anomalous data), often with extreme distribution skews. We propose a novel training approach for HMM Ensembles that generalizes to multi-class problems and supports classification and anomaly detection. Our method fits class-specific groups of diverse models using random data subsets, and compares likelihoods across classes to produce composite scores, achieving high average precisions and AUCs. In addition, we compare our approach with neural network-based methods such as Convolutional Neural Networks (CNNs) and Long Short-Term Memory networks (LSTMs), highlighting the efficiency and robustness of HMMs in data-scarce environments. Motivated by real-world use cases, our method demonstrates robust performance across various benchmarks, offering a flexible framework for diverse applications.
Authors: Tianyu Dai, Khaled Aljanaideh, Rong Chen, Rajiv Singh, Alec Stothert, Lennart Ljung
Abstract: MATLAB(R) releases over the last 3 years have witnessed a continuing growth in the dynamic modeling capabilities offered by the System Identification Toolbox(TM). The emphasis has been on integrating deep learning architectures and training techniques that facilitate the use of deep neural networks as building blocks of nonlinear models. The toolbox offers neural state-space models which can be extended with auto-encoding features that are particularly suited for reduced-order modeling of large systems. The toolbox contains several other enhancements that deepen its integration with the state-of-art machine learning techniques, leverage auto-differentiation features for state estimation, and enable a direct use of raw numeric matrices and timetables for training models.
Authors: Daniel Weitekamp, Kenneth Koedinger
Abstract: STAND is a data-efficient and computationally efficient machine learning approach that produces better classification accuracy than popular approaches like XGBoost on small-data tabular classification problems like learning rule preconditions from interactive training. STAND accounts for a complete set of good candidate generalizations instead of selecting a single generalization by breaking ties randomly. STAND can use any greedy concept construction strategy, like decision tree learning or sequential covering, and build a structure that approximates a version space over disjunctive normal logical statements. Unlike candidate elimination approaches to version-space learning, STAND does not suffer from issues of version-space collapse from noisy data nor is it restricted to learning strictly conjunctive concepts. More importantly, STAND can produce a measure called instance certainty that can predict increases in holdout set performance and has high utility as an active-learning heuristic. Instance certainty enables STAND to be self-aware of its own learning: it knows when it learns and what example will help it learn the most. We illustrate that instance certainty has desirable properties that can help users select next training problems, and estimate when training is complete in applications where users interactively teach an AI a complex program.
Authors: Lu Wang, Tianyuan Zhang, Yikai Han, Muyang Fang, Ting Jin, Jiaqi Kang
Abstract: With recent breakthroughs in deep neural networks, numerous tasks within autonomous driving have exhibited remarkable performance. However, deep learning models are susceptible to adversarial attacks, presenting significant security risks to autonomous driving systems. Presently, end-to-end architectures have emerged as the predominant solution for autonomous driving, owing to their collaborative nature across different tasks. Yet, the implications of adversarial attacks on such models remain relatively unexplored. In this paper, we conduct comprehensive adversarial security research on the modular end-to-end autonomous driving model for the first time. We thoroughly consider the potential vulnerabilities in the model inference process and design a universal attack scheme through module-wise noise injection. We conduct large-scale experiments on the full-stack autonomous driving model and demonstrate that our attack method outperforms previous attack methods. We trust that our research will offer fresh insights into ensuring the safety and reliability of autonomous driving systems.
Authors: Kaizhe Fan, Quanjun Li
Abstract: Graph representation learning has emerged as a powerful tool for preserving graph topology when mapping nodes to vector representations, enabling various downstream tasks such as node classification and community detection. However, most current graph neural network models face the challenge of requiring extensive labeled data, which limits their practical applicability in real-world scenarios where labeled data is scarce. To address this challenge, researchers have explored Graph Contrastive Learning (GCL), which leverages enhanced graph data and contrastive learning techniques. While promising, existing GCL methods often struggle with effectively capturing both local and global graph structures, and balancing the trade-off between nodelevel and graph-level representations. In this work, we propose Graph Representation Embedding Enhanced via Multidimensional Contrastive Learning (GRE2-MDCL). Our model introduces a novel triple network architecture with a multi-head attention GNN as the core. GRE2-MDCL first globally and locally augments the input graph using SVD and LAGNN techniques. It then constructs a multidimensional contrastive loss, incorporating cross-network, cross-view, and neighbor contrast, to optimize the model. Extensive experiments on benchmark datasets Cora, Citeseer, and PubMed demonstrate that GRE2-MDCL achieves state-of-the-art performance, with average accuracies of 82.5%, 72.5%, and 81.6% respectively. Visualizations further show tighter intra-cluster aggregation and clearer inter-cluster boundaries, highlighting the effectiveness of our framework in improving upon baseline GCL models.
Authors: Irene Weber
Abstract: Large Language Models (LLMs) offer numerous applications, the full extent of which is not yet understood. This paper investigates if LLMs can be applied for editing structured and semi-structured documents with minimal effort. Using a qualitative research approach, we conduct two case studies with ChatGPT and thoroughly analyze the results. Our experiments indicate that LLMs can effectively edit structured and semi-structured documents when provided with basic, straightforward prompts. ChatGPT demonstrates a strong ability to recognize and process the structure of annotated documents. This suggests that explicitly structuring tasks and data in prompts might enhance an LLM's ability to understand and solve tasks. Furthermore, the experiments also reveal impressive pattern matching skills in ChatGPT. This observation deserves further investigation, as it may contribute to understanding the processes leading to hallucinations in LLMs.
Authors: Zhizheng Lai, Yufei Zhou, Peijia Zheng, Lin Chen
Abstract: The recently proposed Kolmogorov-Arnold Networks (KANs) offer enhanced interpretability and greater model expressiveness. However, KANs also present challenges related to privacy leakage during inference. Homomorphic encryption (HE) facilitates privacy-preserving inference for deep learning models, enabling resource-limited users to benefit from deep learning services while ensuring data security. Yet, the complex structure of KANs, incorporating nonlinear elements like the SiLU activation function and B-spline functions, renders existing privacy-preserving inference techniques inadequate. To address this issue, we propose an accurate and efficient privacy-preserving inference scheme tailored for KANs. Our approach introduces a task-specific polynomial approximation for the SiLU activation function, dynamically adjusting the approximation range to ensure high accuracy on real-world datasets. Additionally, we develop an efficient method for computing B-spline functions within the HE domain, leveraging techniques such as repeat packing, lazy combination, and comparison functions. We evaluate the effectiveness of our privacy-preserving KAN inference scheme on both symbolic formula evaluation and image classification. The experimental results show that our model achieves accuracy comparable to plaintext KANs across various datasets and outperforms plaintext MLPs. Additionally, on the CIFAR-10 dataset, our inference latency achieves over 7 times speedup compared to the naive method.
Authors: Sheng Shen, Rabih Younes
Abstract: This paper introduces Kolmogorov-Arnold Networks (KAN) as an enhancement to the traditional linear probing method in transfer learning. Linear probing, often applied to the final layer of pre-trained models, is limited by its inability to model complex relationships in data. To address this, we propose substituting the linear probing layer with KAN, which leverages spline-based representations to approximate intricate functions. In this study, we integrate KAN with a ResNet-50 model pre-trained on ImageNet and evaluate its performance on the CIFAR-10 dataset. We perform a systematic hyperparameter search, focusing on grid size and spline degree (k), to optimize KAN's flexibility and accuracy. Our results demonstrate that KAN consistently outperforms traditional linear probing, achieving significant improvements in accuracy and generalization across a range of configurations. These findings indicate that KAN offers a more powerful and adaptable alternative to conventional linear probing techniques in transfer learning.
Authors: Reda Alami, Ali Khalifa Almansoori, Ahmed Alzubaidi, Mohamed El Amine Seddik, Mugariya Farooq, Hakim Hacid
Abstract: We demonstrate that preference optimization methods can effectively enhance LLM safety. Applying various alignment techniques to the Falcon 11B model using safety datasets, we achieve a significant boost in global safety score (from $57.64\%$ to $99.90\%$) as measured by LlamaGuard 3 8B, competing with state-of-the-art models. On toxicity benchmarks, average scores in adversarial settings dropped from over $0.6$ to less than $0.07$. However, this safety improvement comes at the cost of reduced general capabilities, particularly in math, suggesting a trade-off. We identify noise contrastive alignment (Safe-NCA) as an optimal method for balancing safety and performance. Our study ultimately shows that alignment techniques can be sufficient for building safe and robust models.
Authors: Aye Phyu Phyu Aung, Jay Chaudhary, Ji Wei Yoon, Senthilnath Jayavelu
Abstract: Molecular optimization is a key challenge in drug discovery and material science domain, involving the design of molecules with desired properties. Existing methods focus predominantly on single-property optimization, necessitating repetitive runs to target multiple properties, which is inefficient and computationally expensive. Moreover, these methods often lack transparency, making it difficult for researchers to understand and control the optimization process. To address these issues, we propose a novel framework, Explainable Multi-property Optimization of Molecules (XMOL), to optimize multiple molecular properties simultaneously while incorporating explainability. Our approach builds on state-of-the-art geometric diffusion models, extending them to multi-property optimization through the introduction of spectral normalization and enhanced molecular constraints for stabilized training. Additionally, we integrate interpretive and explainable techniques throughout the optimization process. We evaluated XMOL on the real-world molecular datasets i.e., QM9, demonstrating its effectiveness in both single property and multiple properties optimization while offering interpretable results, paving the way for more efficient and reliable molecular design.
Authors: Haruki Yokota, Hiroshi Higashi, Yuichi Tanaka, Gene Cheung
Abstract: Signed graphs are equipped with both positive and negative edge weights, encoding pairwise correlations as well as anti-correlations in data. A balanced signed graph has no cycles of odd number of negative edges. Laplacian of a balanced signed graph has eigenvectors that map simply to ones in a similarity-transformed positive graph Laplacian, thus enabling reuse of well-studied spectral filters designed for positive graphs. We propose a fast method to learn a balanced signed graph Laplacian directly from data. Specifically, for each node $i$, to determine its polarity $\beta_i \in \{-1,1\}$ and edge weights $\{w_{i,j}\}_{j=1}^N$, we extend a sparse inverse covariance formulation based on linear programming (LP) called CLIME, by adding linear constraints to enforce ``consistent" signs of edge weights $\{w_{i,j}\}_{j=1}^N$ with the polarities of connected nodes -- i.e., positive/negative edges connect nodes of same/opposing polarities. For each LP, we adapt projections on convex set (POCS) to determine a suitable CLIME parameter $\rho > 0$ that guarantees LP feasibility. We solve the resulting LP via an off-the-shelf LP solver in $\mathcal{O}(N^{2.055})$. Experiments on synthetic and real-world datasets show that our balanced graph learning method outperforms competing methods and enables the use of spectral filters and graph convolutional networks (GCNs) designed for positive graphs on signed graphs.
Authors: Hyunsin Park, Sungrack Yun
Abstract: We propose a prototype-based federated learning method designed for embedding networks in classification or verification tasks. Our focus is on scenarios where each client has data from a single class. The main challenge is to develop an embedding network that can distinguish between different classes while adhering to privacy constraints. Sharing true class prototypes with the server or other clients could potentially compromise sensitive information. To tackle this issue, we propose a proxy class prototype that will be shared among clients instead of the true class prototype. Our approach generates proxy class prototypes by linearly combining them with their nearest neighbors. This technique conceals the true class prototype while enabling clients to learn discriminative embedding networks. We compare our method to alternative techniques, such as adding random Gaussian noise and using random selection with cosine similarity constraints. Furthermore, we evaluate the robustness of our approach against gradient inversion attacks and introduce a measure for prototype leakage. This measure quantifies the extent of private information revealed when sharing the proposed proxy class prototype. Moreover, we provide a theoretical analysis of the convergence properties of our approach. Our proposed method for federated learning from scratch demonstrates its effectiveness through empirical results on three benchmark datasets: CIFAR-100, VoxCeleb1, and VGGFace2.
Authors: Yuan Yin, Pegah Khayatan, \'Eloi Zablocki, Alexandre Boulch, Matthieu Cord
Abstract: Machine learning based autonomous driving systems often face challenges with safety-critical scenarios that are rare in real-world data, hindering their large-scale deployment. While increasing real-world training data coverage could address this issue, it is costly and dangerous. This work explores generating safety-critical driving scenarios by modifying complex real-world regular scenarios through trajectory optimization. We propose ReGentS, which stabilizes generated trajectories and introduces heuristics to avoid obvious collisions and optimization problems. Our approach addresses unrealistic diverging trajectories and unavoidable collision scenarios that are not useful for training robust planner. We also extend the scenario generation framework to handle real-world data with up to 32 agents. Additionally, by using a differentiable simulator, our approach simplifies gradient descent-based optimization involving a simulator, paving the way for future advancements. The code is available at https://github.com/valeoai/ReGentS.
Authors: Xinying Lu, Jianli Xiao
Abstract: For traffic incident detection, the acquisition of data and labels is notably resource-intensive, rendering semi-supervised traffic incident detection both a formidable and consequential challenge. Thus, this paper focuses on traffic incident detection with a semi-supervised learning way. It proposes a semi-supervised learning model named FPMT within the framework of MixText. The data augmentation module introduces Generative Adversarial Networks to balance and expand the dataset. During the mix-up process in the hidden space, it employs a probabilistic pseudo-mixing mechanism to enhance regularization and elevate model precision. In terms of training strategy, it initiates with unsupervised training on all data, followed by supervised fine-tuning on a subset of labeled data, and ultimately completing the goal of semi-supervised training. Through empirical validation on four authentic datasets, our FPMT model exhibits outstanding performance across various metrics. Particularly noteworthy is its robust performance even in scenarios with low label rates.
Authors: Andrew Antonopoulos
Abstract: This study was part of my dissertation for my master degree and compares the power consumption using the default floating point (32bit) and Nvidia mixed precision (16bit and 32bit) while training a classification ML model. A custom PC with specific hardware was built to perform the experiments, and different ML hyper-parameters, such as batch size, neurons, and epochs, were chosen to build Deep Neural Networks (DNN). Additionally, various software was used during the experiments to collect the power consumption data in Watts from the Graphics Processing Unit (GPU), Central Processing Unit (CPU), Random Access Memory (RAM) and manually from a wattmeter connected to the wall. A benchmarking test with default hyper parameter values for the DNN was used as a reference, while the experiments used a combination of different settings. The results were recorded in Excel, and descriptive statistics were chosen to calculate the mean between the groups and compare them using graphs and tables. The outcome was positive when using mixed precision combined with specific hyper-parameters. Compared to the benchmarking, the optimisation for the classification reduced the power consumption between 7 and 11 Watts. Similarly, the carbon footprint is reduced because the calculation uses the same power consumption data. Still, a consideration is required when configuring hyper-parameters because it can negatively affect hardware performance. However, this research required inferential statistics, specifically ANOVA and T-test, to compare the relationship between the means. Furthermore, tests indicated no statistical significance of the relationship between the benchmarking and experiments. However, a more extensive implementation with a cluster of GPUs can increase the sample size significantly, as it is an essential factor and can change the outcome of the statistical analysis.
Authors: Samuel Rey, Seyed Saman Saboksayr, Gonzalo Mateos
Abstract: We address the problem of learning the topology of directed acyclic graphs (DAGs) from nodal observations, which adhere to a linear structural equation model. Recent advances framed the combinatorial DAG structure learning task as a continuous optimization problem, yet existing methods must contend with the complexities of non-convex optimization. To overcome this limitation, we assume that the latent DAG contains only non-negative edge weights. Leveraging this additional structure, we argue that cycles can be effectively characterized (and prevented) using a convex acyclicity function based on the log-determinant of the adjacency matrix. This convexity allows us to relax the task of learning the non-negative weighted DAG as an abstract convex optimization problem. We propose a DAG recovery algorithm based on the method of multipliers, that is guaranteed to return a global minimizer. Furthermore, we prove that in the infinite sample size regime, the convexity of our approach ensures the recovery of the true DAG structure. We empirically validate the performance of our algorithm in several reproducible synthetic-data test cases, showing that it outperforms state-of-the-art alternatives.
Authors: Shakeel A. Sheikh, Yacouba Kaloga, Ina Kodrasi
Abstract: Despite the promising performance of state of the art approaches for Parkinsons Disease (PD) detection, these approaches often analyze individual speech segments in isolation, which can lead to suboptimal results. Dysarthric cues that characterize speech impairments from PD patients are expected to be related across segments from different speakers. Isolated segment analysis fails to exploit these inter segment relationships. Additionally, not all speech segments from PD patients exhibit clear dysarthric symptoms, introducing label noise that can negatively affect the performance and generalizability of current approaches. To address these challenges, we propose a novel PD detection framework utilizing Graph Convolutional Networks (GCNs). By representing speech segments as nodes and capturing the similarity between segments through edges, our GCN model facilitates the aggregation of dysarthric cues across the graph, effectively exploiting segment relationships and mitigating the impact of label noise. Experimental results demonstrate theadvantages of the proposed GCN model for PD detection and provide insights into its underlying mechanisms
Authors: Tristan Benoit, Yunru Wang, Moritz Dannehl, Johannes Kinder
Abstract: Function names can greatly aid human reverse engineers, which has spurred development of machine learning-based approaches to predicting function names in stripped binaries. Much current work in this area now uses transformers, applying a metaphor of machine translation from code to function names. Still, function naming models face challenges in generalizing to projects completely unrelated to the training set. In this paper, we take a completely new approach by transferring advances in automated image captioning to the domain of binary reverse engineering, such that different parts of a binary function can be associated with parts of its name. We propose BLens, which combines multiple binary function embeddings into a new ensemble representation, aligns it with the name representation latent space via a contrastive learning approach, and generates function names with a transformer architecture tailored for function names. In our experiments, we demonstrate that BLens significantly outperforms the state of the art. In the usual setting of splitting per binary, we achieve an $F_1$ score of 0.77 compared to 0.67. Moreover, in the cross-project setting, which emphasizes generalizability, we achieve an $F_1$ score of 0.46 compared to 0.29.
Authors: Zhifeng Hu, Chong Han, Wolfgang Gerstacker, Ian F. Akyildiz
Abstract: Terahertz (THz) space communications (Tera-SpaceCom) is envisioned as a promising technology to enable various space science and communication applications. Mainly, the realm of Tera-SpaceCom consists of THz sensing for space exploration, data centers in space providing cloud services for space exploration tasks, and a low earth orbit (LEO) mega-constellation relaying these tasks to ground stations (GSs) or data centers via THz links. Moreover, to reduce the computational burden on data centers as well as resource consumption and latency in the relaying process, the LEO mega-constellation provides satellite edge computing (SEC) services to directly compute space exploration tasks without relaying these tasks to data centers. The LEO satellites that receive space exploration tasks offload (i.e., distribute) partial tasks to their neighboring LEO satellites, to further reduce their computational burden. However, efficient joint communication resource allocation and computing task offloading for the Tera-SpaceCom SEC network is an NP-hard mixed-integer nonlinear programming problem (MINLP), due to the discrete nature of space exploration tasks and sub-arrays as well as the continuous nature of transmit power. To tackle this challenge, a graph neural network (GNN)-deep reinforcement learning (DRL)-based joint resource allocation and task offloading (GRANT) algorithm is proposed with the target of long-term resource efficiency (RE). Particularly, GNNs learn relationships among different satellites from their connectivity information. Furthermore, multi-agent and multi-task mechanisms cooperatively train task offloading and resource allocation. Compared with benchmark solutions, GRANT not only achieves the highest RE with relatively low latency, but realizes the fewest trainable parameters and the shortest running time.
Authors: Eduardo Cueto-Mendoza, John D. Kelleher
Abstract: Measuring Efficiency in neural network system development is an open research problem. This paper presents an experimental framework to measure the training efficiency of a neural architecture. To demonstrate our approach, we analyze the training efficiency of Convolutional Neural Networks and Bayesian equivalents on the MNIST and CIFAR-10 tasks. Our results show that training efficiency decays as training progresses and varies across different stopping criteria for a given neural model and learning task. We also find a non-linear relationship between training stopping criteria, training Efficiency, model size, and training Efficiency. Furthermore, we illustrate the potential confounding effects of overtraining on measuring the training efficiency of a neural architecture. Regarding relative training efficiency across different architectures, our results indicate that CNNs are more efficient than BCNNs on both datasets. More generally, as a learning task becomes more complex, the relative difference in training efficiency between different architectures becomes more pronounced.
Authors: Alexei Pisacane, Victor-Alexandru Darvariu, Mirco Musolesi
Abstract: Graph path search is a classic computer science problem that has been recently approached with Reinforcement Learning (RL) due to its potential to outperform prior methods. Existing RL techniques typically assume a global view of the network, which is not suitable for large-scale, dynamic, and privacy-sensitive settings. An area of particular interest is search in social networks due to its numerous applications. Inspired by seminal work in experimental sociology, which showed that decentralized yet efficient search is possible in social networks, we frame the problem as a collaborative task between multiple agents equipped with a limited local view of the network. We propose a multi-agent approach for graph path search that successfully leverages both homophily and structural heterogeneity. Our experiments, carried out over synthetic and real-world social networks, demonstrate that our model significantly outperforms learned and heuristic baselines. Furthermore, our results show that meaningful embeddings for graph navigation can be constructed using reward-driven learning.
Authors: Anna Emilie J. Wedenborg, Michael Alexander Harborg, Andreas Bigom, Oliver Elmgreen, Marcus Presutti, Andreas R{\aa}skov, Fumiko Kano Gl\"uckstad, Mikkel Schmidt, Morten M{\o}rup
Abstract: This paper introduces a novel framework for Archetypal Analysis (AA) tailored to ordinal data, particularly from questionnaires. Unlike existing methods, the proposed method, Ordinal Archetypal Analysis (OAA), bypasses the two-step process of transforming ordinal data into continuous scales and operates directly on the ordinal data. We extend traditional AA methods to handle the subjective nature of questionnaire-based data, acknowledging individual differences in scale perception. We introduce the Response Bias Ordinal Archetypal Analysis (RBOAA), which learns individualized scales for each subject during optimization. The effectiveness of these methods is demonstrated on synthetic data and the European Social Survey dataset, highlighting their potential to provide deeper insights into human behavior and perception. The study underscores the importance of considering response bias in cross-national research and offers a principled approach to analyzing ordinal data through Archetypal Analysis.
Authors: Guangxuan Song, Dongmei Fu, Zhongwei Qiu, Jintao Meng, Dawei Zhang
Abstract: Uncertainty estimation is crucial in scientific data for machine learning. Current uncertainty estimation methods mainly focus on the model's inherent uncertainty, while neglecting the explicit modeling of noise in the data. Furthermore, noise estimation methods typically rely on temporal or spatial dependencies, which can pose a significant challenge in structured scientific data where such dependencies among samples are often absent. To address these challenges in scientific research, we propose the Taylor-Sensus Network (TSNet). TSNet innovatively uses a Taylor series expansion to model complex, heteroscedastic noise and proposes a deep Taylor block for aware noise distribution. TSNet includes a noise-aware contrastive learning module and a data density perception module for aleatoric and epistemic uncertainty. Additionally, an uncertainty combination operator is used to integrate these uncertainties, and the network is trained using a novel heteroscedastic mean square error loss. TSNet demonstrates superior performance over mainstream and state-of-the-art methods in experiments, highlighting its potential in scientific research and noise resistance. It will be open-source to facilitate the community of "AI for Science".
Authors: Lorenzo Loconte, Antonio Mari, Gennaro Gala, Robert Peharz, Cassio de Campos, Erik Quaeghebeur, Gennaro Vessio, Antonio Vergari
Abstract: This paper establishes a rigorous connection between circuit representations and tensor factorizations, two seemingly distinct yet fundamentally related areas. By connecting these fields, we highlight a series of opportunities that can benefit both communities. Our work generalizes popular tensor factorizations within the circuit language, and unifies various circuit learning algorithms under a single, generalized hierarchical factorization framework. Specifically, we introduce a modular "Lego block" approach to build tensorized circuit architectures. This, in turn, allows us to systematically construct and explore various circuit and tensor factorization models while maintaining tractability. This connection not only clarifies similarities and differences in existing models, but also enables the development of a comprehensive pipeline for building and optimizing new circuit/tensor factorization architectures. We show the effectiveness of our framework through extensive empirical evaluations, and highlight new research opportunities for tensor factorizations in probabilistic modeling.
Authors: Jake Street, Isibor Ihianle, Funminiyi Olajide, Ahmad Lotfi
Abstract: Online Grooming (OG) is a prevalent threat facing predominately children online, with groomers using deceptive methods to prey on the vulnerability of children on social media/messaging platforms. These attacks can have severe psychological and physical impacts, including a tendency towards revictimization. Current technical measures are inadequate, especially with the advent of end-to-end encryption which hampers message monitoring. Existing solutions focus on the signature analysis of child abuse media, which does not effectively address real-time OG detection. This paper proposes that OG attacks are complex, requiring the identification of specific communication patterns between adults and children. It introduces a novel approach leveraging advanced models such as BERT and RoBERTa for Message-Level Analysis and a Context Determination approach for classifying actor interactions, including the introduction of Actor Significance Thresholds and Message Significance Thresholds. The proposed method aims to enhance accuracy and robustness in detecting OG by considering the dynamic and multi-faceted nature of these attacks. Cross-dataset experiments evaluate the robustness and versatility of our approach. This paper's contributions include improved detection methodologies and the potential for application in various scenarios, addressing gaps in current literature and practices.
Authors: Supratim Das, Mahdie Rafie, Paula Kammer, S{\o}ren T. Skou, Dorte T. Gr{\o}nne, Ewa M. Roos, Andr\'e Hajek, Hans-Helmut K\"onig, Md Shihab Ullaha, Niklas Probul, Jan Baumbacha, Linda Baumbach
Abstract: Background: Patient-reported survey data are used to train prognostic models aimed at improving healthcare. However, such data are typically available multi-centric and, for privacy reasons, cannot easily be centralized in one data repository. Models trained locally are less accurate, robust, and generalizable. We present and apply privacy-preserving federated machine learning techniques for prognostic model building, where local survey data never leaves the legally safe harbors of the medical centers. Methods: We used centralized, local, and federated learning techniques on two healthcare datasets (GLA:D data from the five health regions of Denmark and international SHARE data of 27 countries) to predict two different health outcomes. We compared linear regression, random forest regression, and random forest classification models trained on local data with those trained on the entire data in a centralized and in a federated fashion. Results: In GLA:D data, federated linear regression (R2 0.34, RMSE 18.2) and federated random forest regression (R2 0.34, RMSE 18.3) models outperform their local counterparts (i.e., R2 0.32, RMSE 18.6, R2 0.30, RMSE 18.8) with statistical significance. We also found that centralized models (R2 0.34, RMSE 18.2, R2 0.32, RMSE 18.5, respectively) did not perform significantly better than the federated models. In SHARE, the federated model (AC 0.78, AUROC: 0.71) and centralized model (AC 0.84, AUROC: 0.66) perform significantly better than the local models (AC: 0.74, AUROC: 0.69). Conclusion: Federated learning enables the training of prognostic models from multi-center surveys without compromising privacy and with only minimal or no compromise regarding model performance.
Authors: Zhenhao Zhao, Minhong Zhu, Chen Wang, Sijia Wang, Jiqiang Zhang, Li Chen, Weiran Cai
Abstract: Graph Contrastive Learning (GCL) seeks to learn nodal or graph representations that contain maximal consistent information from graph-structured data. While node-level contrasting modes are dominating, some efforts commence to explore consistency across different scales. Yet, they tend to lose consistent information and be contaminated by disturbing features. Here, we introduce MUX-GCL, a novel cross-scale contrastive learning paradigm that utilizes multiplex representations as effective patches. While this learning mode minimizes contaminating noises, a commensurate contrasting strategy using positional affinities further avoids information loss by correcting false negative pairs across scales. Extensive downstream experiments demonstrate that MUX-GCL yields multiple state-of-the-art results on public datasets. Our theoretical analysis further guarantees the new objective function as a stricter lower bound of mutual information of raw input features and output embeddings, which rationalizes this paradigm. Code is available at https://github.com/MUX-GCL/Code.
Authors: Ivan Ovinnikov, Eugene Bykovets, Joachim M. Buhmann
Abstract: Inverse reinforcement learning methods aim to retrieve the reward function of a Markov decision process based on a dataset of expert demonstrations. The commonplace scarcity and heterogeneous sources of such demonstrations can lead to the absorption of spurious correlations in the data by the learned reward function. Consequently, this adaptation often exhibits behavioural overfitting to the expert data set when a policy is trained on the obtained reward function under distribution shift of the environment dynamics. In this work, we explore a novel regularization approach for inverse reinforcement learning methods based on the causal invariance principle with the goal of improved reward function generalization. By applying this regularization to both exact and approximate formulations of the learning task, we demonstrate superior policy performance when trained using the recovered reward functions in a transfer setting
Authors: Song Hao, Wentao Fu, Xuanze Chen, Chengxiang Jin, Jiajun Zhou, Shanqing Yu, Qi Xuan
Abstract: Traditional anomalous traffic detection methods are based on single-view analysis, which has obvious limitations in dealing with complex attacks and encrypted communications. In this regard, we propose a Multi-view Feature Fusion (MuFF) method for network anomaly traffic detection. MuFF models the temporal and interactive relationships of packets in network traffic based on the temporal and interactive viewpoints respectively. It learns temporal and interactive features. These features are then fused from different perspectives for anomaly traffic detection. Extensive experiments on six real traffic datasets show that MuFF has excellent performance in network anomalous traffic detection, which makes up for the shortcomings of detection under a single perspective.
Authors: Francesco Della Santa, Antonio Mastropietro, Sandra Pieraccini, Francesco Vaccarino
Abstract: The problem of multi-task regression over graph nodes has been recently approached through Graph-Instructed Neural Network (GINN), which is a promising architecture belonging to the subset of message-passing graph neural networks. In this work, we discuss the limitations of the Graph-Instructed (GI) layer, and we formalize a novel edge-wise GI (EWGI) layer. We discuss the advantages of the EWGI layer and we provide numerical evidence that EWGINNs perform better than GINNs over graph-structured input data with chaotic connectivity, like the ones inferred from the Erdos-R\'enyi graph.
Authors: Luke Braithwaite, Iulia Duta, Pietro Li\`o
Abstract: Heterogeneous graphs, with nodes and edges of different types, are commonly used to model relational structures in many real-world applications. Standard Graph Neural Networks (GNNs) struggle to process heterogeneous data due to oversmoothing. Instead, current approaches have focused on accounting for the heterogeneity in the model architecture, leading to increasingly complex models. Inspired by recent work, we propose using cellular sheaves to model the heterogeneity in the graph's underlying topology. Instead of modelling the data as a graph, we represent it as cellular sheaves, which allows us to encode the different data types directly in the data structure, eliminating the need to inject them into the architecture. We introduce HetSheaf, a general framework for heterogeneous sheaf neural networks, and a series of heterogeneous sheaf predictors to better encode the data's heterogeneity into the sheaf structure. Finally, we empirically evaluate HetSheaf on several standard heterogeneous graph benchmarks, achieving competitive results whilst being more parameter-efficient.
Authors: Joao Pereira, Michael Alummoottil, Dimitrios Halatsis, Dario Farina
Abstract: Biosignal acquisition is key for healthcare applications and wearable devices, with machine learning offering promising methods for processing signals like surface electromyography (sEMG) and electroencephalography (EEG). Despite high within-session performance, intersession performance is hindered by electrode shift, a known issue across modalities. Existing solutions often require large and expensive datasets and/or lack robustness and interpretability. Thus, we propose the Spatial Adaptation Layer (SAL), which can be prepended to any biosignal array model and learns a parametrized affine transformation at the input between two recording sessions. We also introduce learnable baseline normalization (LBN) to reduce baseline fluctuations. Tested on two HD-sEMG gesture recognition datasets, SAL and LBN outperform standard fine-tuning on regular arrays, achieving competitive performance even with a logistic regressor, with orders of magnitude less, physically interpretable parameters. Our ablation study shows that forearm circumferential translations account for the majority of performance improvements, in line with sEMG physiological expectations.
Authors: Teng Yan, Zhendong Ruan, Yaobang Cai, Yu Han, Wenxian Li, Yang Zhang
Abstract: As a data-driven paradigm, offline reinforcement learning (Offline RL) has been formulated as sequence modeling, where the Decision Transformer (DT) has demonstrated exceptional capabilities. Unlike previous reinforcement learning methods that fit value functions or compute policy gradients, DT adjusts the autoregressive model based on the expected returns, past states, and actions, using a causally masked Transformer to output the optimal action. However, due to the inconsistency between the sampled returns within a single trajectory and the optimal returns across multiple trajectories, it is challenging to set an expected return to output the optimal action and stitch together suboptimal trajectories. Decision ConvFormer (DC) is easier to understand in the context of modeling RL trajectories within a Markov Decision Process compared to DT. We propose the Q-value Regularized Decision ConvFormer (QDC), which combines the understanding of RL trajectories by DC and incorporates a term that maximizes action values using dynamic programming methods during training. This ensures that the expected returns of the sampled actions are consistent with the optimal returns. QDC achieves excellent performance on the D4RL benchmark, outperforming or approaching the optimal level in all tested environments. It particularly demonstrates outstanding competitiveness in trajectory stitching capability.
Authors: Lukas L\"uken, Sergio Lucia
Abstract: Obtaining the solution of constrained optimization problems as a function of parameters is very important in a multitude of applications, such as control and planning. Solving such parametric optimization problems in real time can present significant challenges, particularly when it is necessary to obtain highly accurate solutions or batches of solutions. To solve these challenges, we propose a learning-based iterative solver for constrained optimization which can obtain very fast and accurate solutions by customizing the solver to a specific parametric optimization problem. For a given set of parameters of the constrained optimization problem, we propose a first step with a neural network predictor that outputs primal-dual solutions of a reasonable degree of accuracy. This primal-dual solution is then improved to a very high degree of accuracy in a second step by a learned iterative solver in the form of a neural network. A novel loss function based on the Karush-Kuhn-Tucker conditions of optimality is introduced, enabling fully self-supervised training of both neural networks without the necessity of prior sampling of optimizer solutions. The evaluation of a variety of quadratic and nonlinear parametric test problems demonstrates that the predictor alone is already competitive with recent self-supervised schemes for approximating optimal solutions. The second step of our proposed learning-based iterative constrained optimizer achieves solutions with orders of magnitude better accuracy than other learning-based approaches, while being faster to evaluate than state-of-the-art solvers and natively allowing for GPU parallelization.
Authors: Arthur Hoarau, Vincent Lemaire
Abstract: Recent research in machine learning has given rise to a flourishing literature on the quantification and decomposition of model uncertainty. This information can be very useful during interactions with the learner, such as in active learning or adaptive learning, and especially in uncertainty sampling. To allow a simple representation of these total, epistemic (reducible) and aleatoric (irreducible) uncertainties, we offer DEMAU, an open-source educational, exploratory and analytical tool allowing to visualize and explore several types of uncertainty for classification models in machine learning.
Authors: Louis Van Langendonck, Ismael Castell-Uroz, Pere Barlet-Ros
Abstract: Foundation models have shown great promise in various fields of study. A potential application of such models is in computer network traffic analysis, where these models can grasp the complexities of network traffic dynamics and adapt to any specific task or network environment with minimal fine-tuning. Previous approaches have used tokenized hex-level packet data and the model architecture of large language transformer models. We propose a new, efficient graph-based alternative at the flow-level. Our approach represents network traffic as a dynamic spatio-temporal graph, employing a self-supervised link prediction pretraining task to capture the spatial and temporal dynamics in this network graph framework. To evaluate the effectiveness of our approach, we conduct a few-shot learning experiment for three distinct downstream network tasks: intrusion detection, traffic classification, and botnet classification. Models finetuned from our pretrained base achieve an average performance increase of 6.87\% over training from scratch, demonstrating their ability to effectively learn general network traffic dynamics during pretraining. This success suggests the potential for a large-scale version to serve as an operational foundational model.
Authors: Aaron Rock Menezes, Bharath Ramsundar
Abstract: Automated cell segmentation is crucial for various biological and medical applications, facilitating tasks like cell counting, morphology analysis, and drug discovery. However, manual segmentation is time-consuming and prone to subjectivity, necessitating robust automated methods. This paper presents open-source infrastructure, utilizing the UNet model, a deep-learning architecture noted for its effectiveness in image segmentation tasks. This implementation is integrated into the open-source DeepChem package, enhancing accessibility and usability for researchers and practitioners. The resulting tool offers a convenient and user-friendly interface, reducing the barrier to entry for cell segmentation while maintaining high accuracy. Additionally, we benchmark this model against various datasets, demonstrating its robustness and versatility across different imaging conditions and cell types.
Authors: Petr Philonenko, Sergey Postovalov
Abstract: The focus of this study is to evaluate the effectiveness of Machine Learning (ML) methods for two-sample testing with right-censored observations. To achieve this, we develop several ML-based methods with varying architectures and implement them as two-sample tests. Each method is an ensemble (stacking) that combines predictions from classical two-sample tests. This paper presents the results of training the proposed ML methods, examines their statistical power compared to classical two-sample tests, analyzes the distribution of test statistics for the proposed methods when the null hypothesis is true, and evaluates the significance of the features incorporated into the proposed methods. All results from numerical experiments were obtained from a synthetic dataset generated using the Smirnov transform (Inverse Transform Sampling) and replicated multiple times through Monte Carlo simulation. To test the two-sample problem with right-censored observations, one can use the proposed two-sample methods. All necessary materials (source code, example scripts, dataset, and samples) are available on GitHub and Hugging Face.
Authors: Orazio Pinti, Jeremy M. Budd, Franca Hoffmann, Assad A. Oberai
Abstract: We present a novel probabilistic approach for generating multi-fidelity data while accounting for errors inherent in both low- and high-fidelity data. In this approach a graph Laplacian constructed from the low-fidelity data is used to define a multivariate Gaussian prior density for the coordinates of the true data points. In addition, few high-fidelity data points are used to construct a conjugate likelihood term. Thereafter, Bayes rule is applied to derive an explicit expression for the posterior density which is also multivariate Gaussian. The maximum \textit{a posteriori} (MAP) estimate of this density is selected to be the optimal multi-fidelity estimate. It is shown that the MAP estimate and the covariance of the posterior density can be determined through the solution of linear systems of equations. Thereafter, two methods, one based on spectral truncation and another based on a low-rank approximation, are developed to solve these equations efficiently. The multi-fidelity approach is tested on a variety of problems in solid and fluid mechanics with data that represents vectors of quantities of interest and discretized spatial fields in one and two dimensions. The results demonstrate that by utilizing a small fraction of high-fidelity data, the multi-fidelity approach can significantly improve the accuracy of a large collection of low-fidelity data points.
Authors: Davide Buffelli, Farzin Soleymani, Bastian Rieck
Abstract: Graph neural networks have become the default choice by practitioners for graph learning tasks such as graph classification and node classification. Nevertheless, popular graph neural network models still struggle to capture higher-order information, i.e., information that goes \emph{beyond} pairwise interactions. Recent work has shown that persistent homology, a tool from topological data analysis, can enrich graph neural networks with topological information that they otherwise could not capture. Calculating such features is efficient for dimension 0 (connected components) and dimension 1 (cycles). However, when it comes to higher-order structures, it does not scale well, with a complexity of $O(n^d)$, where $n$ is the number of nodes and $d$ is the order of the structures. In this work, we introduce a novel method that extracts information about higher-order structures in the graph while still using the efficient low-dimensional persistent homology algorithm. On standard benchmark datasets, we show that our method can lead to up to $31\%$ improvements in test accuracy.
Authors: Somayeh Kianpisheh, Chafika Benzaid, Tarik Taleb
Abstract: Federated Learning (FL) enables training of a global model from distributed data, while preserving data privacy. However, the singular-model based operation of FL is open with uploading poisoned models compatible with the global model structure and can be exploited as a vulnerability to conduct model poisoning attacks. This paper proposes a multi-model based FL as a proactive mechanism to enhance the opportunity of model poisoning attack mitigation. A master model is trained by a set of slave models. To enhance the opportunity of attack mitigation, the structure of client models dynamically change within learning epochs, and the supporter FL protocol is provided. For a MEC system, the model selection problem is modeled as an optimization to minimize loss and recognition time, while meeting a robustness confidence. In adaption with dynamic network condition, a deep reinforcement learning based model selection is proposed. For a DDoS attack detection scenario, results illustrate a competitive accuracy gain under poisoning attack with the scenario that the system is without attack, and also a potential of recognition time improvement.
Authors: Geigh Zollicoffer, Minh Vu, Ben Nebgen, Juan Castorena, Boian Alexandrov, Manish Bhattarai
Abstract: This work presents an information-theoretic examination of diffusion-based purification methods, the state-of-the-art adversarial defenses that utilize diffusion models to remove malicious perturbations in adversarial examples. By theoretically characterizing the inherent purification errors associated with the Markov-based diffusion purifications, we introduce LoRID, a novel Low-Rank Iterative Diffusion purification method designed to remove adversarial perturbation with low intrinsic purification errors. LoRID centers around a multi-stage purification process that leverages multiple rounds of diffusion-denoising loops at the early time-steps of the diffusion models, and the integration of Tucker decomposition, an extension of matrix factorization, to remove adversarial noise at high-noise regimes. Consequently, LoRID increases the effective diffusion time-steps and overcomes strong adversarial attacks, achieving superior robustness performance in CIFAR-10/100, CelebA-HQ, and ImageNet datasets under both white-box and black-box settings.
Authors: Paul H\"ausner, Aleix Nieto Juscafresa, Jens Sj\"olund
Abstract: In this paper, we develop a data-driven approach to generate incomplete LU factorizations of large-scale sparse matrices. The learned approximate factorization is utilized as a preconditioner for the corresponding linear equation system in the GMRES method. Incomplete factorization methods are one of the most commonly applied algebraic preconditioners for sparse linear equation systems and are able to speed up the convergence of Krylov subspace methods. However, they are sensitive to hyper-parameters and might suffer from numerical breakdown or lead to slow convergence when not properly applied. We replace the typically hand-engineered algorithms with a graph neural network based approach that is trained against data to predict an approximate factorization. This allows us to learn preconditioners tailored for a specific problem distribution. We analyze and empirically evaluate different loss functions to train the learned preconditioners and show their effectiveness to decrease the number of GMRES iterations and improve the spectral properties on our synthetic dataset. The code is available at https://github.com/paulhausner/neural-incomplete-factorization.
URLs: https://github.com/paulhausner/neural-incomplete-factorization.
Authors: Abhinav Prakash, Rui Tuo, Yu Ding
Abstract: This paper is concerned with a nonparametric regression problem in which the input variables and the errors are autocorrelated in time. The motivation for the research stems from modeling wind power curves. Using existing model selection methods, like cross validation, results in model overfitting in presence of temporal autocorrelation. This phenomenon is referred to as temporal overfitting, which causes loss of performance while predicting responses for a time domain different from the training time domain. We propose a Gaussian process (GP)-based method to tackle the temporal overfitting problem. Our model is partitioned into two parts -- a time-invariant component and a time-varying component, each of which is modeled through a GP. We modify the inference method to a thinning-based strategy, an idea borrowed from Markov chain Monte Carlo sampling, to overcome temporal overfitting and estimate the time-invariant component. We extensively compare our proposed method with both existing power curve models and available ideas for handling temporal overfitting on real wind turbine datasets. Our approach yields significant improvement when predicting response for a time period different from the training time period. Supplementary material and computer code for this article is available online.
Authors: Sree Rama Vamsidhar S (Indian Institute of Technology), Rama Krishna Gorthi (Indian Institute of Technology)
Abstract: In this paper, we propose to reformulate the blind image deblurring task to directly learn an inverse of the degradation model using a deep linear network. We introduce Deep Identity Learning (DIL), a novel learning strategy that includes a dedicated regularization term based on the properties of linear systems, to exploit the identity relation between the degradation and inverse degradation models. The salient aspect of our proposed framework is it neither relies on a deblurring dataset nor a single input blurred image (like Polyblur, a self-supervised method). Since it is purely image-data-independent, we term our model as Null-Shot deblurring Using Deep Identity Learning (NSD-DIL). We also provide an explicit representation of the learned deep linear network in a matrix form, called Deep Restoration Kernel (DRK) for deblurring task. The proposed framework detours the typical degradation kernel estimation step involved in most of the existing blind deblurring solutions by the proposition of our Random Kernel Gallery (RKG) dataset. In this work, we focus on the restoration of mild blur images, generated by small out-of-focus, lens blur, or slight camera motion, which often occurs in real images. Our experiments show that the proposed method outperforms both traditional and deep learning based deblurring methods, with at least an order of 100 lesser computational resources. The proposed NSD-DIL method can be effortlessly extended to the Image Super-Resolution (ISR) task as well to restore the low-resolution images with fine details. The NSD-DIL model and its kernel form representation (DRK) are lightweight yet robust and restore the mild blur input in a fraction of a second. Hence, more suitable for wide real-time applications.
Authors: Jin Wang
Abstract: Building elastic and scalable edge resources is an inevitable prerequisite for providing platform-based smart city services. Smart city services are delivered through edge computing to provide low-latency applications. However, edge computing has always faced the challenge of limited resources. A single edge device cannot undertake the various intelligent computations in a smart city, and the large-scale deployment of edge devices from different service providers to build an edge resource platform has become a necessity. Selecting computing power from different service providers is a game-theoretic problem. To incentivize service providers to actively contribute their valuable resources and provide low-latency collaborative computing power, we introduce a game-theoretic deep learning model to reach a consensus among service providers on task scheduling and resource provisioning. Traditional centralized resource management approaches are inefficient and lack credibility, while the introduction of blockchain technology can enable decentralized resource trading and scheduling. We propose a contribution-based proof mechanism to provide the low-latency service of edge computing. The deep learning model consists of dual encoders and a single decoder, where the GNN (Graph Neural Network) encoder processes structured decision action data, and the RNN (Recurrent Neural Network) encoder handles time-series task scheduling data. Extensive experiments have demonstrated that our model reduces latency by 584% compared to the state-of-the-art.
Authors: Gengmo Zhou, Zhen Wang, Feng Yu, Guolin Ke, Zhewei Wei, Zhifeng Gao
Abstract: Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information. Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise. It is challenging to identify an inductive bias that consistently maintains the integrity of molecular activity during data augmentation. To tackle these challenges, we propose S-MolSearch, the first framework to our knowledge, that leverages molecular 3D information and affinity information in semi-supervised contrastive learning for ligand-based virtual screening. Drawing on the principles of inverse optimal transport, S-MolSearch efficiently processes both labeled and unlabeled data, training molecular structural encoders while generating soft labels for the unlabeled data. This design allows S-MolSearch to adaptively utilize unlabeled data within the learning process. Empirically, S-MolSearch demonstrates superior performance on widely-used benchmarks LIT-PCBA and DUD-E. It surpasses both structure-based and ligand-based virtual screening methods for enrichment factors across 0.5%, 1% and 5%.
Authors: Sakhinana Sagar Srinivas, Geethan Sannidhi, Venkataramana Runkana
Abstract: We present a novel framework for analyzing and interpreting electron microscopy images in semiconductor manufacturing using vision-language instruction tuning. The framework employs a unique teacher-student approach, leveraging pre-trained multimodal large language models such as GPT-4 to generate instruction-following data for zero-shot visual question answering (VQA) and classification tasks, customizing smaller multimodal models (SMMs) for microscopy image analysis, resulting in an instruction-tuned language-and-vision assistant. Our framework merges knowledge engineering with machine learning to integrate domain-specific expertise from larger to smaller multimodal models within this specialized field, greatly reducing the need for extensive human labeling. Our study presents a secure, cost-effective, and customizable approach for analyzing microscopy images, addressing the challenges of adopting proprietary models in semiconductor manufacturing.
Authors: Sam Gijsen, Kerstin Ritter
Abstract: Multimodal language modeling constitutes a recent breakthrough which leverages advances in large language models to pretrain capable multimodal models. The integration of natural language during pretraining has been shown to significantly improve learned representations, particularly in computer vision. However, the efficacy of multimodal language modeling in the realm of functional brain data, specifically for advancing pathology detection, remains unexplored. This study pioneers EEG-language models trained on clinical reports and 15000 EEGs. We extend methods for multimodal alignment to this novel domain and investigate which textual information in reports is useful for training EEG-language models. Our results indicate that models learn richer representations from being exposed to a variety of report segments, including the patient's clinical history, description of the EEG, and the physician's interpretation. Compared to models exposed to narrower clinical text information, we find such models to retrieve EEGs based on clinical reports (and vice versa) with substantially higher accuracy. Yet, this is only observed when using a contrastive learning approach. Particularly in regimes with few annotations, we observe that representations of EEG-language models can significantly improve pathology detection compared to those of EEG-only models, as demonstrated by both zero-shot classification and linear probes. In sum, these results highlight the potential of integrating brain activity data with clinical text, suggesting that EEG-language models represent significant progress for clinical applications.
Authors: Umme Rumman, Arifa Ferdousi, Md. Sazzad Hossain, Md. Johirul Islam, Shamim Ahmad, Mamun Bin Ibne Reaz, Md. Rezaul Islam
Abstract: Surface electromyography (sEMG) signal holds great potential in the research fields of gesture recognition and the development of robust prosthetic hands. However, the sEMG signal is compromised with physiological or dynamic factors such as forearm orientations, electrode displacement, limb position, etc. The existing dataset of sEMG is limited as they often ignore these dynamic factors during recording. In this paper, we have proposed a dataset of multichannel sEMG signals to evaluate common daily living hand gestures performed with three forearm orientations. The dataset is collected from nineteen intact-limed subjects, performing twelve hand gestures with three forearm orientations: supination, rest, and pronation.Additionally, two electrode placement positions (elbow and forearm) are considered while recording the sEMG signal. The dataset is open for public access in MATLAB file format. The key purpose of the dataset is to offer an extensive resource for developing a robust machine learning classification algorithm and hand gesture recognition applications. We validated the high quality of the dataset by assessing the signal quality matrices and classification performance, utilizing popular machine learning algorithms, various feature extraction methods, and variable window size. The obtained result highlighted the significant potential of this novel sEMG dataset that can be used as a benchmark for developing hand gesture recognition systems, conducting clinical research on sEMG, and developing human-computer interaction applications. Dataset:https://www.kaggle.com/datasets/ummerummanchaity/fors-emg-a-novel-semg-dataset/data
URLs: https://www.kaggle.com/datasets/ummerummanchaity/fors-emg-a-novel-semg-dataset/data
Authors: Alessio Burrello, Francesco Carlucci, Giovanni Pollo, Xiaying Wang, Massimo Poncino, Enrico Macii, Luca Benini, Daniele Jahier Pagliari
Abstract: PPG-based Blood Pressure (BP) estimation is a challenging biosignal processing task for low-power devices such as wearables. State-of-the-art Deep Neural Networks (DNNs) trained for this task implement either a PPG-to-BP signal-to-signal reconstruction or a scalar BP value regression and have been shown to outperform classic methods on the largest and most complex public datasets. However, these models often require excessive parameter storage or computational effort for wearable deployment, exceeding the available memory or incurring too high latency and energy consumption. In this work, we describe a fully-automated DNN design pipeline, encompassing HW-aware Neural Architecture Search (NAS) and Quantization, thanks to which we derive accurate yet lightweight models, that can be deployed on an ultra-low-power multicore System-on-Chip (SoC), GAP8. Starting from both regression and signal-to-signal state-of-the-art models on four public datasets, we obtain optimized versions that achieve up to 4.99% lower error or 73.36% lower size at iso-error. Noteworthy, while the most accurate SoA network on the largest dataset can not fit the GAP8 memory, all our optimized models can; our most accurate DNN consumes as little as 0.37 mJ while reaching the lowest MAE of 8.08 on Diastolic BP estimation.
Authors: Junjie Li, Yang Liu, Weiqing Liu, Shikai Fang, Lewen Wang, Chang Xu, Jiang Bian
Abstract: Generative models aim to simulate realistic effects of various actions across different contexts, from text generation to visual effects. Despite efforts to build real-world simulators, leveraging generative models for virtual worlds, like financial markets, remains underexplored. In financial markets, generative models can simulate market effects of various behaviors, enabling interaction with market scenes and players, and training strategies without financial risk. This simulation relies on the finest structured data in financial market like orders thus building the finest realistic simulation. We propose Large Market Model (LMM), an order-level generative foundation model, for financial market simulation, akin to language modeling in the digital world. Our financial Market Simulation engine (MarS), powered by LMM, addresses the need for realistic, interactive and controllable order generation. Key objectives of this paper include evaluating LMM's scaling law in financial markets, assessing MarS's realism, balancing controlled generation with market impact, and demonstrating MarS's potential applications. We showcase MarS as a forecast tool, detection system, analysis platform, and agent training environment. Our contributions include pioneering a generative model for financial markets, designing MarS to meet domain-specific needs, and demonstrating MarS-based applications' industry potential.
Authors: Yunkang Zhang, Ziyu Wu, Zhen Liang, Fangting Xie, Quan Wan, Mingjie Zhao, Xiaohui Cai
Abstract: Pressure-sensitive smart textiles are widely applied in the fields of healthcare, sports monitoring, and intelligent homes. The integration of devices embedded with pressure sensing arrays is expected to enable comprehensive scene coverage and multi-device integration. However, the implementation of identity recognition, a fundamental function in this context, relies on extensive device-specific datasets due to variations in pressure distribution across different devices. To address this challenge, we propose a novel user identification method based on contrastive learning. We design two parallel branches to facilitate user identification on both new and existing devices respectively, employing supervised contrastive learning in the feature space to promote domain unification. When encountering new devices, extensive data collection efforts are not required; instead, user identification can be achieved using limited data consisting of only a few simple postures. Through experimentation with two 8-subject pressure datasets (BedPressure and ChrPressure), our proposed method demonstrates the capability to achieve user identification across 12 sitting scenarios using only a dataset containing 2 postures. Our average recognition accuracy reaches 79.05%, representing an improvement of 2.62% over the best baseline model.
Authors: Javad Hassannataj Joloudari, Mohammad Maftoun, Bahareh Nakisa, Roohallah Alizadehsani, Meisam Yadollahzadeh-Tabari
Abstract: The Complex Emotion Recognition System (CERS) deciphers complex emotional states by examining combinations of basic emotions expressed, their interconnections, and the dynamic variations. Through the utilization of advanced algorithms, CERS provides profound insights into emotional dynamics, facilitating a nuanced understanding and customized responses. The attainment of such a level of emotional recognition in machines necessitates the knowledge distillation and the comprehension of novel concepts akin to human cognition. The development of AI systems for discerning complex emotions poses a substantial challenge with significant implications for affective computing. Furthermore, obtaining a sizable dataset for CERS proves to be a daunting task due to the intricacies involved in capturing subtle emotions, necessitating specialized methods for data collection and processing. Incorporating physiological signals such as Electrocardiogram (ECG) and Electroencephalogram (EEG) can notably enhance CERS by furnishing valuable insights into the user's emotional state, enhancing the quality of datasets, and fortifying system dependability. A comprehensive literature review was conducted in this study to assess the efficacy of machine learning, deep learning, and meta-learning approaches in both basic and complex emotion recognition utilizing EEG, ECG signals, and facial expression datasets. The chosen research papers offer perspectives on potential applications, clinical implications, and results of CERSs, with the objective of promoting their acceptance and integration into clinical decision-making processes. This study highlights research gaps and challenges in understanding CERSs, encouraging further investigation by relevant studies and organizations. Lastly, the significance of meta-learning approaches in improving CERS performance and guiding future research endeavors is underscored.
Authors: Yifan Jia, Yanbin Wang, Jianguo Sun, Yiwei Liu, Zhang Sheng, Ye Tian
Abstract: Ethereum faces growing fraud threats. Current fraud detection methods, whether employing graph neural networks or sequence models, fail to consider the semantic information and similarity patterns within transactions. Moreover, these approaches do not leverage the potential synergistic benefits of combining both types of models. To address these challenges, we propose TLMG4Eth that combines a transaction language model with graph-based methods to capture semantic, similarity, and structural features of transaction data in Ethereum. We first propose a transaction language model that converts numerical transaction data into meaningful transaction sentences, enabling the model to learn explicit transaction semantics. Then, we propose a transaction attribute similarity graph to learn transaction similarity information, enabling us to capture intuitive insights into transaction anomalies. Additionally, we construct an account interaction graph to capture the structural information of the account transaction network. We employ a deep multi-head attention network to fuse transaction semantic and similarity embeddings, and ultimately propose a joint training approach for the multi-head attention network and the account interaction graph to obtain the synergistic benefits of both.
Authors: Tomoya Tanaka, Ayumu Yabuki, Mizuki Funakoshi, Ryo Yonemoto
Abstract: In this study, we leveraged Channel State Information (CSI), commonly utilized in WLAN communication, as training data to develop and evaluate five distinct machine learning models for recognizing human postures: standing, sitting, and lying down. The models we employed were: (i) Linear Discriminant Analysis, (ii) Naive Bayes-Support Vector Machine, (iii) Kernel-Support Vector Machine, (iv) Random Forest, and (v) Deep Learning. We systematically analyzed how the accuracy of these models varied with different amounts of training data. Additionally, to assess their spatial generalization capabilities, we evaluated the models' performance in a setting distinct from the one used for data collection. The experimental findings indicated that while two models -- (ii) Naive Bayes-Support Vector Machine and (v) Deep Learning -- achieved 85% or more accuracy in the original setting, their accuracy dropped to approximately 30% when applied in a different environment. These results underscore that although CSI-based machine learning models can attain high accuracy within a consistent spatial structure, their performance diminishes considerably with changes in spatial conditions, highlighting a significant challenge in their generalization capabilities.
Authors: Ningyu Zhang, Zekun Xi, Yujie Luo, Peng Wang, Bozhong Tian, Yunzhi Yao, Jintian Zhang, Shumin Deng, Mengshu Sun, Lei Liang, Zhiqiang Zhang, Xiaowei Zhu, Jun Zhou, Huajun Chen
Abstract: Knowledge representation has been a central aim of AI since its inception. Symbolic Knowledge Graphs (KGs) and neural Large Language Models (LLMs) can both represent knowledge. KGs provide highly accurate and explicit knowledge representation, but face scalability issue; while LLMs offer expansive coverage of knowledge, but incur significant training costs and struggle with precise and reliable knowledge manipulation. To this end, we introduce OneEdit, a neural-symbolic prototype system for collaborative knowledge editing using natural language, which facilitates easy-to-use knowledge management with KG and LLM. OneEdit consists of three modules: 1) The Interpreter serves for user interaction with natural language; 2) The Controller manages editing requests from various users, leveraging the KG with rollbacks to handle knowledge conflicts and prevent toxic knowledge attacks; 3) The Editor utilizes the knowledge from the Controller to edit KG and LLM. We conduct experiments on two new datasets with KGs which demonstrate that OneEdit can achieve superior performance.
Authors: Daniel Adam, Tom\'a\v{s} Kliegr
Abstract: This article presents a method for verifying RDF triples using LLMs, with an emphasis on providing traceable arguments. Because the LLMs cannot currently reliably identify the origin of the information used to construct the response to the user query, our approach is to avoid using internal LLM factual knowledge altogether. Instead, verified RDF statements are compared to chunks of external documents retrieved through a web search or Wikipedia. To assess the possible application of this workflow on biosciences content, we evaluated 1,719 positive statements from the BioRED dataset and the same number of newly generated negative statements. The resulting precision is 88%, and recall is 44%. This indicates that the method requires human oversight. We demonstrate the method on Wikidata, where a SPARQL query is used to automatically retrieve statements needing verification. Overall, the results suggest that LLMs could be used for large-scale verification of statements in KGs, a task previously unfeasible due to human annotation costs.
Authors: Falaah Arif Khan, Denys Herasymuk, Nazar Protsiv, Julia Stoyanovich
Abstract: We present Shades-of-NULL, a benchmark for responsible missing value imputation. Our benchmark includes state-of-the-art imputation techniques, and embeds them into the machine learning development lifecycle. We model realistic missingness scenarios that go beyond Rubin's classic Missing Completely at Random (MCAR), Missing At Random (MAR) and Missing Not At Random (MNAR), to include multi-mechanism missingness (when different missingness patterns co-exist in the data) and missingness shift (when the missingness mechanism changes between training and test). Another key novelty of our work is that we evaluate imputers holistically, based on the predictive performance, fairness and stability of the models that are trained and tested on the data they produce. We use Shades-of-NULL to conduct a large-scale empirical study involving 20,952 experimental pipelines, and find that, while there is no single best-performing imputation approach for all missingness types, interesting performance patterns do emerge when comparing imputer performance in simpler vs. more complex missingness scenarios. Further, while predictive performance, fairness and stability can be seen as orthogonal, we identify trade-offs among them that arise due to the combination of missingness scenario, the choice of an imputer, and the architecture of the model trained on the data post-imputation. We make Shades-of-NULL publicly available, and hope to enable researchers to comprehensively and rigorously evaluate new missing value imputation methods on a wide range of evaluation metrics, in plausible and socially meaningful missingness scenarios.
Authors: George Weaver, Robin D. Jeffries, Richard J. Jackson
Abstract: We present an Artificial Neural Network (ANN) model of photospheric lithium depletion in cool stars (3000 < Teff / K < 6500), producing estimates and probability distributions of age from Li I 6708A equivalent width (LiEW) and effective temperature data inputs. The model is trained on the same sample of 6200 stars from 52 open clusters, observed in the Gaia-ESO spectroscopic survey, and used to calibrate the previously published analytical EAGLES model, with ages 2 - 6000 Myr and -0.3 < [Fe/H] < 0.2. The additional flexibility of the ANN provides some improvements, including better modelling of the "lithium dip" at ages < 50 Myr and Teff ~ 3500K, and of the intrinsic dispersion in LiEW at all ages. Poor age discrimination is still an issue at ages > 1 Gyr, confirming that additional modelling flexibility is not sufficient to fully represent the LiEW - age - Teff relationship, and suggesting the involvement of further astrophysical parameters. Expansion to include such parameters - rotation, accretion, and surface gravity - is discussed, and the use of an ANN means these can be more easily included in future iterations, alongside more flexible functional forms for the LiEW dispersion. Our methods and ANN model are provided in an updated version 2.0 of the EAGLES software.
Authors: Christian L\"owens, Thorben Funke, Andr\'e Wagner, Alexandru Paul Condurache
Abstract: Rigid point cloud registration is a fundamental problem and highly relevant in robotics and autonomous driving. Nowadays deep learning methods can be trained to match a pair of point clouds, given the transformation between them. However, this training is often not scalable due to the high cost of collecting ground truth poses. Therefore, we present a self-distillation approach to learn point cloud registration in an unsupervised fashion. Here, each sample is passed to a teacher network and an augmented view is passed to a student network. The teacher includes a trainable feature extractor and a learning-free robust solver such as RANSAC. The solver forces consistency among correspondences and optimizes for the unsupervised inlier ratio, eliminating the need for ground truth labels. Our approach simplifies the training procedure by removing the need for initial hand-crafted features or consecutive point cloud frames as seen in related methods. We show that our method not only surpasses them on the RGB-D benchmark 3DMatch but also generalizes well to automotive radar, where classical features adopted by others fail. The code is available at https://github.com/boschresearch/direg .
Authors: Alfonso Taboada Warmerdam, Mathilde Caron, Yuki M. Asano
Abstract: With the advent of billion-parameter foundation models, efficient fine-tuning has become increasingly important for the adaptation of models to downstream tasks. However, especially in computer vision, it can be hard to achieve good performance when access to quality labeled data is lacking. In this work, we propose a method adapting pretrained generalist models in a self-supervised manner by learning binary masks. These self-supervised masking networks (SMNs) are up to 79x more efficient to store and significantly improve performance on label-efficient downstream tasks. We validate the usefulness of learning binary masks as a fine-tuning method on 8 datasets and 3 model architectures, and we demonstrate the effectiveness of SMNs in 3 label-efficient settings.
Authors: Charles Meyers, Mohammad Reza Saleh Sedghpour, Tommy L\"ofstedt, Erik Elmroth
Abstract: Considering the growing prominence of production-level AI and the threat of adversarial attacks that can evade a model at run-time, evaluating the robustness of models to these evasion attacks is of critical importance. Additionally, testing model changes likely means deploying the models to (e.g. a car or a medical imaging device), or a drone to see how it affects performance, making un-tested changes a public problem that reduces development speed, increases cost of development, and makes it difficult (if not impossible) to parse cause from effect. In this work, we used survival analysis as a cloud-native, time-efficient and precise method for predicting model performance in the presence of adversarial noise. For neural networks in particular, the relationships between the learning rate, batch size, training time, convergence time, and deployment cost are highly complex, so researchers generally rely on benchmark datasets to assess the ability of a model to generalize beyond the training data. To address this, we propose using accelerated failure time models to measure the effect of hardware choice, batch size, number of epochs, and test-set accuracy by using adversarial attacks to induce failures on a reference model architecture before deploying the model to the real world. We evaluate several GPU types and use the Tree Parzen Estimator to maximize model robustness and minimize model run-time simultaneously. This provides a way to evaluate the model and optimise it in a single step, while simultaneously allowing us to model the effect of model parameters on training time, prediction time, and accuracy. Using this technique, we demonstrate that newer, more-powerful hardware does decrease the training time, but with a monetary and power cost that far outpaces the marginal gains in accuracy.
Authors: Jason B. Gibson, Tesia D. Janicki, Ajinkya C. Hire, Chris Bishop, J. Matthew D. Lane, Richard G. Hennig
Abstract: Machine-learned interatomic potentials (MLIPs) are becoming an essential tool in materials modeling. However, optimizing the generation of training data used to parameterize the MLIPs remains a significant challenge. This is because MLIPs can fail when encountering local enviroments too different from those present in the training data. The difficulty of determining \textit{a priori} the environments that will be encountered during molecular dynamics (MD) simulation necessitates diverse, high-quality training data. This study investigates how training data diversity affects the performance of MLIPs using the Ultra-Fast Force Field (UF$^3$) to model amorphous silicon nitride. We employ expert and autonomously generated data to create the training data and fit four force-field variants to subsets of the data. Our findings reveal a critical balance in training data diversity: insufficient diversity hinders generalization, while excessive diversity can exceed the MLIP's learning capacity, reducing simulation accuracy. Specifically, we found that the UF$^3$ variant trained on a subset of the training data, in which nitrogen-rich structures were removed, offered vastly better prediction and simulation accuracy than any other variant. By comparing these UF$^3$ variants, we highlight the nuanced requirements for creating accurate MLIPs, emphasizing the importance of application-specific training data to achieve optimal performance in modeling complex material behaviors.
Authors: Purvish Jajal, Nick John Eliopoulos, Benjamin Shiue-Hal Chou, George K. Thiravathukal, James C. Davis, Yung-Hsiang Lu
Abstract: We propose Vision Token Turing Machines (ViTTM), an efficient, low-latency, memory-augmented Vision Transformer (ViT). Our approach builds on Neural Turing Machines and Token Turing Machines, which were applied to NLP and sequential visual understanding tasks. ViTTMs are designed for non-sequential computer vision tasks such as image classification and segmentation. Our model creates two sets of tokens: process tokens and memory tokens; process tokens pass through encoder blocks and read-write from memory tokens at each encoder block in the network, allowing them to store and retrieve information from memory. By ensuring that there are fewer process tokens than memory tokens, we are able to reduce the inference time of the network while maintaining its accuracy. On ImageNet-1K, the state-of-the-art ViT-B has median latency of 529.5ms and 81.0% accuracy, while our ViTTM-B is 56% faster (234.1ms), with 2.4 times fewer FLOPs, with an accuracy of 82.9%. On ADE20K semantic segmentation, ViT-B achieves 45.65mIoU at 13.8 frame-per-second (FPS) whereas our ViTTM-B model acheives a 45.17 mIoU with 26.8 FPS (+94%).
Authors: Alan F. Smeaton
Abstract: This position paper explores the rapid development of Foundation Models (FMs) in AI and their implications for intelligence and reasoning. It examines the characteristics of FMs, including their training on vast datasets and use of embedding spaces to capture semantic relationships. The paper discusses recent advancements in FMs' reasoning abilities which we argue cannot be attributed to increased model size but to novel training techniques which yield learning phenomena like grokking. It also addresses the challenges in benchmarking FMs and compares their structure to the human brain. We argue that while FMs show promising developments in reasoning and knowledge representation, understanding their inner workings remains a significant challenge, similar to ongoing efforts in neuroscience to comprehend human brain function. Despite having some similarities, fundamental differences between FMs and the structure of human brain warn us against making direct comparisons or expecting neuroscience to provide immediate insights into FM function.
Authors: Bikram Khanal, Pablo Rivas, Arun Sanjel, Korn Sooksatra, Ernesto Quevedo, Alejandro Rodriguez
Abstract: Despite the mounting anticipation for the quantum revolution, the success of Quantum Machine Learning (QML) in the Noisy Intermediate-Scale Quantum (NISQ) era hinges on a largely unexplored factor: the generalization error bound, a cornerstone of robust and reliable machine learning models. Current QML research, while exploring novel algorithms and applications extensively, is predominantly situated in the context of noise-free, ideal quantum computers. However, Quantum Circuit (QC) operations in NISQ-era devices are susceptible to various noise sources and errors. In this article, we conduct a Systematic Mapping Study (SMS) to explore the state-of-the-art generalization bound for supervised QML in NISQ-era and analyze the latest practices in the field. Our study systematically summarizes the existing computational platforms with quantum hardware, datasets, optimization techniques, and the common properties of the bounds found in the literature. We further present the performance accuracy of various approaches in classical benchmark datasets like the MNIST and IRIS datasets. The SMS also highlights the limitations and challenges in QML in the NISQ era and discusses future research directions to advance the field. Using a detailed Boolean operators query in five reliable indexers, we collected 544 papers and filtered them to a small set of 37 relevant articles. This filtration was done following the best practice of SMS with well-defined research questions and inclusion and exclusion criteria.
Authors: Shanu Vashishtha, Abhay Kumar, Lalitesh Morishetti, Kaushiki Nag, Kannan Achan
Abstract: E-commerce platforms have a vast catalog of items to cater to their customers' shopping interests. Most of these platforms assist their customers in the shopping process by offering optimized recommendation carousels, designed to help customers quickly locate their desired items. Many models have been proposed in academic literature to generate and enhance the ranking and recall set of items in these carousels. Conventionally, the accompanying carousel title text (header) of these carousels remains static. In most instances, a generic text such as "Items similar to your current viewing" is utilized. Fixed variations such as the inclusion of specific attributes "Other items from a similar seller" or "Items from a similar brand" in addition to "frequently bought together" or "considered together" are observed as well. This work proposes a novel approach to customize the header generation process of these carousels. Our work leverages user-generated reviews that lay focus on specific attributes (aspects) of an item that were favorably perceived by users during their interaction with the given item. We extract these aspects from reviews and train a graph neural network-based model under the framework of a conditional ranking task. We refer to our innovative methodology as Dynamic Text Snippets (DTS) which generates multiple header texts for an anchor item and its recall set. Our approach demonstrates the potential of utilizing user-generated reviews and presents a unique paradigm for exploring increasingly context-aware recommendation systems.
Authors: Bikram Khanal, Pablo Rivas
Abstract: Quantum Machine Learning (QML) has emerged as a promising field that combines the power of quantum computing with the principles of machine learning. One of the significant challenges in QML is dealing with noise in quantum systems, especially in the Noisy Intermediate-Scale Quantum (NISQ) era. Noise in quantum systems can introduce errors in quantum computations and degrade the performance of quantum algorithms. In this paper, we propose a framework for learning observables that are robust against noisy channels in quantum systems. We demonstrate that it is possible to learn observables that remain invariant under the effects of noise and show that this can be achieved through a machine-learning approach. We present a toy example using a Bell state under a depolarization channel to illustrate the concept of robust observables. We then describe a machine-learning framework for learning such observables across six two-qubit quantum circuits and five noisy channels. Our results show that it is possible to learn observables that are more robust to noise than conventional observables. We discuss the implications of this finding for quantum machine learning, including potential applications in enhancing the stability of QML models in noisy environments. By developing techniques for learning robust observables, we can improve the performance and reliability of quantum machine learning models in the presence of noise, contributing to the advancement of practical QML applications in the NISQ era.
Authors: Hanyu Zhang, Reza Zandehshahvar, Mathieu Tanneau, Pascal Van Hentenryck
Abstract: The integration of renewable energy sources (RES) into power grids presents significant challenges due to their intrinsic stochasticity and uncertainty, necessitating the development of new techniques for reliable and efficient forecasting. This paper proposes a method combining probabilistic forecasting and Gaussian copula for day-ahead prediction and scenario generation of load, wind, and solar power in high-dimensional contexts. By incorporating weather covariates and restoring spatio-temporal correlations, the proposed method enhances the reliability of probabilistic forecasts in RES. Extensive numerical experiments compare the effectiveness of different time series models, with performance evaluated using comprehensive metrics on a real-world and high-dimensional dataset from Midcontinent Independent System Operator (MISO). The results highlight the importance of weather information and demonstrate the efficacy of the Gaussian copula in generating realistic scenarios, with the proposed weather-informed Temporal Fusion Transformer (WI-TFT) model showing superior performance.
Authors: Thomas Ball, Shuo Chen, Cormac Herley
Abstract: In this paper we explore evaluation of LLM capabilities. We present measurements of GPT-4 performance on several deterministic tasks; each task involves a basic calculation and takes as input parameter some element drawn from a large well-defined population (e.g., count elements in a list, multiply two k-digit numbers, etc). We examine several conditions per-task and perform enough trials so that statistically significant differences can be detected. This allows us to investigate the sensitivity of task-accuracy both to query phrasing and input parameter population. We find that seemingly trivial modifications in the task-prompt or input population can yield differences far larger than can be explained by sampling effects. For example, performance on a simple list-counting task varies with query-phrasing and list-length, but also with list composition (i.e., the thing-to-be-counted) and object frequency (e.g., success when an element accounts for $\approx$ 50\% of a list is different from when it accounts for $\approx$ 70\% etc). We conclude that efforts to quantify LLM capabilities easily succumb to the language-as-fixed-effect fallacy, where experimental observations are improperly generalized beyond what the data supports. A consequence appears to be that intuitions that have been formed based on interactions with humans form a very unreliable guide as to which input modifications should ``make no difference'' to LLM performance.
Authors: Mohsen Azarmi, Mahdi Rezaei, He Wang, Ali Arabian
Abstract: Recent advancements in predicting pedestrian crossing intentions for Autonomous Vehicles using Computer Vision and Deep Neural Networks are promising. However, the black-box nature of DNNs poses challenges in understanding how the model works and how input features contribute to final predictions. This lack of interpretability delimits the trust in model performance and hinders informed decisions on feature selection, representation, and model optimisation; thereby affecting the efficacy of future research in the field. To address this, we introduce Context-aware Permutation Feature Importance (CAPFI), a novel approach tailored for pedestrian intention prediction. CAPFI enables more interpretability and reliable assessments of feature importance by leveraging subdivided scenario contexts, mitigating the randomness of feature values through targeted shuffling. This aims to reduce variance and prevent biased estimations in importance scores during permutations. We divide the Pedestrian Intention Estimation (PIE) dataset into 16 comparable context sets, measure the baseline performance of five distinct neural network architectures for intention prediction in each context, and assess input feature importance using CAPFI. We observed nuanced differences among models across various contextual characteristics. The research reveals the critical role of pedestrian bounding boxes and ego-vehicle speed in predicting pedestrian intentions, and potential prediction biases due to the speed feature through cross-context permutation evaluation. We propose an alternative feature representation by considering proximity change rate for rendering dynamic pedestrian-vehicle locomotion, thereby enhancing the contributions of input features to intention prediction. These findings underscore the importance of contextual features and their diversity to develop accurate and robust intent-predictive models.
Authors: Xingchi Liu, Lyudmila Mihaylova, Jemin George, Tien Pham
Abstract: Uncertainty quantification plays a key role in the development of autonomous systems, decision-making, and tracking over wireless sensor networks (WSNs). However, there is a need of providing uncertainty confidence bounds, especially for distributed machine learning-based tracking, dealing with different volumes of data collected by sensors. This paper aims to fill in this gap and proposes a distributed Gaussian process (DGP) approach for point target tracking and derives upper confidence bounds (UCBs) of the state estimates. A unique contribution of this paper includes the derived theoretical guarantees on the proposed approach and its maximum accuracy for tracking with and without clutter measurements. Particularly, the developed approaches with uncertainty bounds are generic and can provide trustworthy solutions with an increased level of reliability. A novel hybrid Bayesian filtering method is proposed to enhance the DGP approach by adopting a Poisson measurement likelihood model. The proposed approaches are validated over a WSN case study, where sensors have limited sensing ranges. Numerical results demonstrate the tracking accuracy and robustness of the proposed approaches. The derived UCBs constitute a tool for trustworthiness evaluation of DGP approaches. The simulation results reveal that the proposed UCBs successfully encompass the true target states with 88% and 42% higher probability in X and Y coordinates, respectively, when compared to the confidence interval-based method.
Authors: Jiajing Guan, Howard Elman
Abstract: Singularly perturbed problems are known to have solutions with steep boundary layers that are hard to resolve numerically. Traditional numerical methods, such as Finite Difference Methods (FDMs), require a refined mesh to obtain stable and accurate solutions. As Physics-Informed Neural Networks (PINNs) have been shown to successfully approximate solutions to differential equations from various fields, it is natural to examine their performance on singularly perturbed problems. The convection-diffusion equation is a representative example of such a class of problems, and we consider the use of PINNs to produce numerical solutions of this equation. We study two ways to use PINNS: as a method for correcting oscillatory discrete solutions obtained using FDMs, and as a method for modifying reduced solutions of unperturbed problems. For both methods, we also examine the use of input transformation to enhance accuracy, and we explain the behavior of input transformations analytically, with the help of neural tangent kernels.
Authors: Yuichi Ishida, Yuma Ichikawa, Aki Dote, Toshiyuki Miyazawa, Koji Hukushima
Abstract: We propose ratio divergence (RD) learning for discrete energy-based models, a method that utilizes both training data and a tractable target energy function. We apply RD learning to restricted Boltzmann machines (RBMs), which are a minimal model that satisfies the universal approximation theorem for discrete distributions. RD learning combines the strength of both forward and reverse Kullback-Leibler divergence (KLD) learning, effectively addressing the "notorious" issues of underfitting with the forward KLD and mode-collapse with the reverse KLD. Since the summation of forward and reverse KLD seems to be sufficient to combine the strength of both approaches, we include this learning method as a direct baseline in numerical experiments to evaluate its effectiveness. Numerical experiments demonstrate that RD learning significantly outperforms other learning methods in terms of energy function fitting, mode-covering, and learning stability across various discrete energy-based models. Moreover, the performance gaps between RD learning and the other learning methods become more pronounced as the dimensions of target models increase.
Authors: Gabriel de Souza P. Moreira, Ronay Ak, Benedikt Schifferer, Mengyao Xu, Radek Osmulski, Even Oldridge
Abstract: Ranking models play a crucial role in enhancing overall accuracy of text retrieval systems. These multi-stage systems typically utilize either dense embedding models or sparse lexical indices to retrieve relevant passages based on a given query, followed by ranking models that refine the ordering of the candidate passages by its relevance to the query. This paper benchmarks various publicly available ranking models and examines their impact on ranking accuracy. We focus on text retrieval for question-answering tasks, a common use case for Retrieval-Augmented Generation systems. Our evaluation benchmarks include models some of which are commercially viable for industrial applications. We introduce a state-of-the-art ranking model, NV-RerankQA-Mistral-4B-v3, which achieves a significant accuracy increase of ~14% compared to pipelines with other rerankers. We also provide an ablation study comparing the fine-tuning of ranking models with different sizes, losses and self-attention mechanisms. Finally, we discuss challenges of text retrieval pipelines with ranking models in real-world industry applications, in particular the trade-offs among model size, ranking accuracy and system requirements like indexing and serving latency / throughput.
Authors: Benjamin Sterling, Monica Bugallo
Abstract: While systems analysis has been studied for decades in the context of control theory, it has only been recently used to improve the convergence of Denoising Diffusion Probabilistic Models. This work describes a novel improvement to Third- Order Langevin Dynamics (TOLD), a recent diffusion method that performs better than its predecessors. This improvement, abbreviated TOLD++, is carried out by critically damping the TOLD forward transition matrix similarly to Dockhorn's Critically-Damped Langevin Dynamics (CLD). Specifically, it exploits eigen-analysis of the forward transition matrix to derive the optimal set of dynamics under the original TOLD scheme. TOLD++ is theoretically guaranteed to converge faster than TOLD, and its faster convergence is verified on the Swiss Roll toy dataset and CIFAR-10 dataset according to the FID metric.
Authors: Muneki Yasuda, Ryosuke Maeno, Chako Takahashi
Abstract: In feed-forward neural networks, dataset-free weight-initialization method such as LeCun, Xavier (or Glorot), and He initializations have been developed. These methods randomly determine the initial values of weight parameters based on specific distributions (e.g., Gaussian or uniform distributions) without using training datasets. To the best of the authors' knowledge, such a dataset-free weight-initialization method is yet to be developed for restricted Boltzmann machines (RBMs), which are probabilistic neural networks consisting of two layers, In this study, we derive a dataset-free weight-initialization method for Bernoulli--Bernoulli RBMs based on a statistical mechanical analysis. In the proposed weight-initialization method, the weight parameters are drawn from a Gaussian distribution with zero mean. The standard deviation of the Gaussian distribution is optimized based on our hypothesis which is that a standard deviation providing a larger layer correlation (LC) between the two layers improves the learning efficiency. The expression of the LC is derived based on a statistical mechanical analysis. The optimal value of the standard deviation corresponds to the maximum point of the LC. The proposed weight-initialization method is identical to Xavier initialization in a specific case (i.e., in the case the sizes of the two layers are the same, the random variables of the layers are $\{-1,1\}$-binary, and all bias parameters are zero).
Authors: Hang Cui, Tarek Abdelzaher
Abstract: In the broader machine learning literature, data-generation methods demonstrate promising results by generating additional informative training examples via augmenting sparse labels. Such methods are less studied in graphs due to the intricate dependencies among nodes in complex topology structures. This paper presents a novel node generation method that infuses a small set of high-quality synthesized nodes into the graph as additional labeled nodes to optimally expand the propagation of labeled information. By simply infusing additional nodes, the framework is orthogonal to the graph learning and downstream classification techniques, and thus is compatible with most popular graph pre-training (self-supervised learning), semi-supervised learning, and meta-learning methods. The contribution lies in designing the generated node set by solving a novel optimization problem. The optimization places the generated nodes in a manner that: (1) minimizes the classification loss to guarantee training accuracy and (2) maximizes label propagation to low-confidence nodes in the downstream task to ensure high-quality propagation. Theoretically, we show that the above dual optimization maximizes the global confidence of node classification. Our Experiments demonstrate statistically significant performance improvements over 14 baselines on 10 publicly available datasets.
Authors: T. Aleksandra Ma, Alexander Lerch
Abstract: In the realm of digital music, using tags to efficiently organize and retrieve music from extensive databases is crucial for music catalog owners. Human tagging by experts is labor-intensive but mostly accurate, whereas automatic tagging through supervised learning has approached satisfying accuracy but is restricted to a predefined set of training tags. Few-shot learning offers a viable solution to expand beyond this small set of predefined tags by enabling models to learn from only a few human-provided examples to understand tag meanings and subsequently apply these tags autonomously. We propose to integrate few-shot learning methodology into multi-label music auto-tagging by using features from pre-trained models as inputs to a lightweight linear classifier, also known as a linear probe. We investigate different popular pre-trained features, as well as different few-shot parametrizations with varying numbers of classes and samples per class. Our experiments demonstrate that a simple model with pre-trained features can achieve performance close to state-of-the-art models while using significantly less training data, such as 20 samples per tag. Additionally, our linear probe performs competitively with leading models when trained on the entire training dataset. The results show that this transfer learning-based few-shot approach could effectively address the issue of automatically assigning long-tail tags with only limited labeled data.
Authors: Kangyang Luo, Shuai Wang, Yexuan Fu, Renrong Shao, Xiang Li, Yunshi Lan, Ming Gao, Jinlong Shu
Abstract: Federated Learning (FL) is a distributed machine learning scheme in which clients jointly participate in the collaborative training of a global model by sharing model information rather than their private datasets. In light of concerns associated with communication and privacy, one-shot FL with a single communication round has emerged as a de facto promising solution. However, existing one-shot FL methods either require public datasets, focus on model homogeneous settings, or distill limited knowledge from local models, making it difficult or even impractical to train a robust global model. To address these limitations, we propose a new data-free dual-generator adversarial distillation method (namely DFDG) for one-shot FL, which can explore a broader local models' training space via training dual generators. DFDG is executed in an adversarial manner and comprises two parts: dual-generator training and dual-model distillation. In dual-generator training, we delve into each generator concerning fidelity, transferability and diversity to ensure its utility, and additionally tailor the cross-divergence loss to lessen the overlap of dual generators' output spaces. In dual-model distillation, the trained dual generators work together to provide the training data for updates of the global model. At last, our extensive experiments on various image classification tasks show that DFDG achieves significant performance gains in accuracy compared to SOTA baselines.
Authors: Shaode Yu, Ze Chen, Zhimu Yang, Jiacheng Gu, Bizu Feng
Abstract: Score prediction is crucial in realistic image sharpness assessment after informative features are collected. Recently, Kolmogorov-Arnold networks (KANs) have been developed and witnessed remarkable success in data fitting. This study presents Taylor series based KAN (TaylorKAN). Then, different KANs are explored on four realistic image databases (BID2011, CID2013, CLIVE, and KonIQ-10k) for score prediction by using 15 mid-level features and 2048 high-level features. When setting support vector regression as the baseline, experimental results indicate KANs are generally better or competitive, TaylorKAN is the best on three databases using mid-level feature input, while KANs are inferior on CLIVE when high-level features are used. This is the first study that explores KANs for image quality assessment. It sheds lights on how to select and improve KANs on related tasks.
Authors: Shivam Barwey, Pinaki Pal, Saumil Patel, Riccardo Balin, Bethany Lusch, Venkatram Vishwanath, Romit Maulik, Ramesh Balakrishnan
Abstract: A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on localized meshes of elements (or cells) directly. To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities. The architecture is multiscale in nature, and is comprised of a combination of coarse-scale and fine-scale message passing layer sequences (termed processors) separated by a graph unpooling layer. The coarse-scale processor embeds a query element (alongside a set number of neighboring coarse elements) into a single latent graph representation using coarse-scale synchronized message passing over the element neighborhood, and the fine-scale processor leverages additional message passing operations on this latent graph to correct for interpolation errors. Demonstration studies are performed using hexahedral mesh-based data from Taylor-Green Vortex flow simulations at Reynolds numbers of 1600 and 3200. Through analysis of both global and local errors, the results ultimately show how the GNN is able to produce accurate super-resolved fields compared to targets in both coarse-scale and multiscale model configurations. Reconstruction errors for fixed architectures were found to increase in proportion to the Reynolds number, while the inclusion of surrounding coarse element neighbors was found to improve predictions at Re=1600, but not at Re=3200.
Authors: Shiwei Feng, Yapeng Ye, Qingkai Shi, Zhiyuan Cheng, Xiangzhe Xu, Siyuan Cheng, Hongjun Choi, Xiangyu Zhang
Abstract: As Autonomous driving systems (ADS) have transformed our daily life, safety of ADS is of growing significance. While various testing approaches have emerged to enhance the ADS reliability, a crucial gap remains in understanding the accidents causes. Such post-accident analysis is paramount and beneficial for enhancing ADS safety and reliability. Existing cyber-physical system (CPS) root cause analysis techniques are mainly designed for drones and cannot handle the unique challenges introduced by more complex physical environments and deep learning models deployed in ADS. In this paper, we address the gap by offering a formal definition of ADS root cause analysis problem and introducing ROCAS, a novel ADS root cause analysis framework featuring cyber-physical co-mutation. Our technique uniquely leverages both physical and cyber mutation that can precisely identify the accident-trigger entity and pinpoint the misconfiguration of the target ADS responsible for an accident. We further design a differential analysis to identify the responsible module to reduce search space for the misconfiguration. We study 12 categories of ADS accidents and demonstrate the effectiveness and efficiency of ROCAS in narrowing down search space and pinpointing the misconfiguration. We also show detailed case studies on how the identified misconfiguration helps understand rationale behind accidents.
Authors: Yongbo Zhang, Katsuma Inoue, Mitsumasa Nakajima, Toshikazu Hashimoto, Yasuo Kuniyoshi, Kohei Nakajima
Abstract: Spiking neural networks (SNNs), the models inspired by the mechanisms of real neurons in the brain, transmit and represent information by employing discrete action potentials or spikes. The sparse, asynchronous properties of information processing make SNNs highly energy efficient, leading to SNNs being promising solutions for implementing neural networks in neuromorphic devices. However, the nondifferentiable nature of SNN neurons makes it a challenge to train them. The current training methods of SNNs that are based on error backpropagation (BP) and precisely designing surrogate gradient are difficult to implement and biologically implausible, hindering the implementation of SNNs on neuromorphic devices. Thus, it is important to train SNNs with a method that is both physically implementatable and biologically plausible. In this paper, we propose using augmented direct feedback alignment (aDFA), a gradient-free approach based on random projection, to train SNNs. This method requires only partial information of the forward process during training, so it is easy to implement and biologically plausible. We systematically demonstrate the feasibility of the proposed aDFA-SNNs scheme, propose its effective working range, and analyze its well-performing settings by employing genetic algorithm. We also analyze the impact of crucial features of SNNs on the scheme, thus demonstrating its superiority and stability over BP and conventional direct feedback alignment. Our scheme can achieve competitive performance without accurate prior knowledge about the utilized system, thus providing a valuable reference for physically training SNNs.
Authors: Mohammad Mehdi Rastikerdar, Jin Huang, Hui Guan, Deepak Ganesan
Abstract: Wildlife monitoring via camera traps has become an essential tool in ecology, but the deployment of machine learning models for on-device animal classification faces significant challenges due to domain shifts and resource constraints. This paper introduces WildFit, a novel approach that reconciles the conflicting goals of achieving high domain generalization performance and ensuring efficient inference for camera trap applications. WildFit leverages continuous background-aware model fine-tuning to deploy ML models tailored to the current location and time window, allowing it to maintain robust classification accuracy in the new environment without requiring significant computational resources. This is achieved by background-aware data synthesis, which generates training images representing the new domain by blending background images with animal images from the source domain. We further enhance fine-tuning effectiveness through background drift detection and class distribution drift detection, which optimize the quality of synthesized data and improve generalization performance. Our extensive evaluation across multiple camera trap datasets demonstrates that WildFit achieves significant improvements in classification accuracy and computational efficiency compared to traditional approaches.
Authors: Tal Baumel (Ari), Andre Manoel (Ari), Daniel Jones (Ari), Shize Su (Ari), Huseyin Inan (Ari), Aaron (Ari), Bornstein, Robert Sim
Abstract: In the field of machine learning, domain-specific annotated data is an invaluable resource for training effective models. However, in the medical domain, this data often includes Personal Health Information (PHI), raising significant privacy concerns. The stringent regulations surrounding PHI limit the availability and sharing of medical datasets, which poses a substantial challenge for researchers and practitioners aiming to develop advanced machine learning models. In this paper, we introduce a novel method to "clone" datasets containing PHI. Our approach ensures that the cloned datasets retain the essential characteristics and utility of the original data without compromising patient privacy. By leveraging differential-privacy techniques and a novel fine-tuning task, our method produces datasets that are free from identifiable information while preserving the statistical properties necessary for model training. We conduct utility testing to evaluate the performance of machine learning models trained on the cloned datasets. The results demonstrate that our cloned datasets not only uphold privacy standards but also enhance model performance compared to those trained on traditional anonymized datasets. This work offers a viable solution for the ethical and effective utilization of sensitive medical data in machine learning, facilitating progress in medical research and the development of robust predictive models.
Authors: Gagan Aggarwal, Ashwinkumar Badanidiyuru, Paul D\"utting, Federico Fusco
Abstract: Motivated by online retail, we consider the problem of selling one item (e.g., an ad slot) to two non-excludable buyers (say, a merchant and a brand). This problem captures, for example, situations where a merchant and a brand cooperatively bid in an auction to advertise a product, and both benefit from the ad being shown. A mechanism collects bids from the two and decides whether to allocate and which payments the two parties should make. This gives rise to intricate incentive compatibility constraints, e.g., on how to split payments between the two parties. We approach the problem of finding a revenue-maximizing incentive-compatible mechanism from an online learning perspective; this poses significant technical challenges. First, the action space (the class of all possible mechanisms) is huge; second, the function that maps mechanisms to revenue is highly irregular, ruling out standard discretization-based approaches. In the stochastic setting, we design an efficient learning algorithm achieving a regret bound of $O(T^{3/4})$. Our approach is based on an adaptive discretization scheme of the space of mechanisms, as any non-adaptive discretization fails to achieve sublinear regret. In the adversarial setting, we exploit the non-Lipschitzness of the problem to prove a strong negative result, namely that no learning algorithm can achieve more than half of the revenue of the best fixed mechanism in hindsight. We then consider the $\sigma$-smooth adversary; we construct an efficient learning algorithm that achieves a regret bound of $O(T^{2/3})$ and builds on a succinct encoding of exponentially many experts. Finally, we prove that no learning algorithm can achieve less than $\Omega(\sqrt T)$ regret in both the stochastic and the smooth setting, thus narrowing the range where the minimax regret rates for these two problems lie.
Authors: Seyed Mohammad Azimi-Abarghouyi, Leandros Tassiulas
Abstract: This paper introduces a new federated learning scheme that leverages over-the-air computation. A novel feature of this scheme is the proposal to employ adaptive weights during aggregation, a facet treated as predefined in other over-the-air schemes. This can mitigate the impact of wireless channel conditions on learning performance, without needing channel state information at transmitter side (CSIT). We provide a mathematical methodology to derive the convergence bound for the proposed scheme in the context of computational heterogeneity and general loss functions, supplemented with design insights. Accordingly, we propose aggregation cost metrics and efficient algorithms to find optimized weights for the aggregation. Finally, through numerical experiments, we validate the effectiveness of the proposed scheme. Even with the challenges posed by channel conditions and device heterogeneity, the proposed scheme surpasses other over-the-air strategies by an accuracy improvement of 15% over the scheme using CSIT and 30% compared to the one without CSIT.
Authors: Renjie Wu, Hu Wang, Hsiang-Ting Chen
Abstract: During multimodal model training and reasoning, data samples may miss certain modalities and lead to compromised model performance due to sensor limitations, cost constraints, privacy concerns, data loss, and temporal and spatial factors. This survey provides an overview of recent progress in Multimodal Learning with Missing Modality (MLMM), focusing on deep learning techniques. It is the first comprehensive survey that covers the historical background and the distinction between MLMM and standard multimodal learning setups, followed by a detailed analysis of current MLMM methods, applications, and datasets, concluding with a discussion about challenges and potential future directions in the field.
Authors: Hao-Wei Chiang (Andy), Chi-Tse Huang (Andy), Hsiang-Yun Cheng (Andy), Po-Hao Tseng (Andy), Ming-Hsiu Lee (Andy), An-Yeu (Andy), Wu
Abstract: While memory-augmented neural networks (MANNs) offer an effective solution for few-shot learning (FSL) by integrating deep neural networks with external memory, the capacity requirements and energy overhead of data movement become enormous due to the large number of support vectors in many-class FSL scenarios. Various in-memory search solutions have emerged to improve the energy efficiency of MANNs. NAND-based multi-bit content addressable memory (MCAM) is a promising option due to its high density and large capacity. Despite its potential, MCAM faces limitations such as a restricted number of word lines, limited quantization levels, and non-ideal effects like varying string currents and bottleneck effects, which lead to significant accuracy drops. To address these issues, we propose several innovative methods. First, the Multi-bit Thermometer Code (MTMC) leverages the extensive capacity of MCAM to enhance vector precision using cumulative encoding rules, thereby mitigating the bottleneck effect. Second, the Asymmetric vector similarity search (AVSS) reduces the precision of the query vector while maintaining that of the support vectors, thereby minimizing the search iterations and improving efficiency in many-class scenarios. Finally, the Hardware-Aware Training (HAT) method optimizes controller training by modeling the hardware characteristics of MCAM, thus enhancing the reliability of the system. Our integrated framework reduces search iterations by up to 32 times, and increases overall accuracy by 1.58% to 6.94%.
Authors: Beilong Tang, Bang Zeng, Ming Li
Abstract: We propose TSELM, a novel target speaker extraction network that leverages discrete tokens and language models. TSELM utilizes multiple discretized layers from WavLM as input tokens and incorporates cross-attention mechanisms to integrate target speaker information. Language models are employed to capture the sequence dependencies, while a scalable HiFi-GAN is used to reconstruct the audio from the tokens. By applying a cross-entropy loss, TSELM models the probability distribution of output tokens, thus converting the complex regression problem of audio generation into a classification task. Experimental results show that TSELM achieves excellent results in speech quality and comparable results in speech intelligibility.
Authors: S\"umeyye \"Ozt\"urk, Ahmed Burak Ercan, Resul Tugay, \c{S}ule G\"und\"uz \"O\u{g}\"ud\"uc\"u
Abstract: In today's world of globalized commerce, cross-market recommendation systems (CMRs) are crucial for providing personalized user experiences across diverse market segments. However, traditional recommendation algorithms have difficulties dealing with market specificity and data sparsity, especially in new or emerging markets. In this paper, we propose the CrossGR model, which utilizes Graph Isomorphism Networks (GINs) to improve CMR systems. It outperforms existing benchmarks in NDCG@10 and HR@10 metrics, demonstrating its adaptability and accuracy in handling diverse market segments. The CrossGR model is adaptable and accurate, making it well-suited for handling the complexities of cross-market recommendation tasks. Its robustness is demonstrated by consistent performance across different evaluation timeframes, indicating its potential to cater to evolving market trends and user preferences. Our findings suggest that GINs represent a promising direction for CMRs, paving the way for more sophisticated, personalized, and context-aware recommendation systems in the dynamic landscape of global e-commerce.
Authors: Pedro J. Villasana T., Lars Villemoes, Janusz Klejsa, Per Hedelin
Abstract: We consider audio decoding as an inverse problem and solve it through diffusion posterior sampling. Explicit conditioning functions are developed for input signal measurements provided by an example of a transform domain perceptual audio codec. Viability is demonstrated by evaluating arbitrary pairings of a set of bitrates and task-agnostic prior models. For instance, we observe significant improvements on piano while maintaining speech performance when a speech model is replaced by a joint model trained on both speech and piano. With a more general music model, improved decoding compared to legacy methods is obtained for a broad range of content types and bitrates. The noisy mean model, underlying the proposed derivation of conditioning, enables a significant reduction of gradient evaluations for diffusion posterior sampling, compared to methods based on Tweedie's mean. Combining Tweedie's mean with our conditioning functions improves the objective performance. An audio demo is available at https://dpscodec-demo.github.io/.
Authors: Donato Riccio, Fabrizio Maturo, Elvira Romano
Abstract: Functional data analysis (FDA) and ensemble learning can be powerful tools for analyzing complex environmental time series. Recent literature has highlighted the key role of diversity in enhancing accuracy and reducing variance in ensemble methods.This paper introduces Randomized Spline Trees (RST), a novel algorithm that bridges these two approaches by incorporating randomized functional representations into the Random Forest framework. RST generates diverse functional representations of input data using randomized B-spline parameters, creating an ensemble of decision trees trained on these varied representations. We provide a theoretical analysis of how this functional diversity contributes to reducing generalization error and present empirical evaluations on six environmental time series classification tasks from the UCR Time Series Archive. Results show that RST variants outperform standard Random Forests and Gradient Boosting on most datasets, improving classification accuracy by up to 14\%. The success of RST demonstrates the potential of adaptive functional representations in capturing complex temporal patterns in environmental data. This work contributes to the growing field of machine learning techniques focused on functional data and opens new avenues for research in environmental time series analysis.
Authors: Meiyi Zhu, Matteo Zecchin, Sangwoo Park, Caili Guo, Chunyan Feng, Petar Popovski, Osvaldo Simeone
Abstract: This paper presents communication-constrained distributed conformal risk control (CD-CRC) framework, a novel decision-making framework for sensor networks under communication constraints. Targeting multi-label classification problems, such as segmentation, CD-CRC dynamically adjusts local and global thresholds used to identify significant labels with the goal of ensuring a target false negative rate (FNR), while adhering to communication capacity limits. CD-CRC builds on online exponentiated gradient descent to estimate the relative quality of the observations of different sensors, and on online conformal risk control (CRC) as a mechanism to control local and global thresholds. CD-CRC is proved to offer deterministic worst-case performance guarantees in terms of FNR and communication overhead, while the regret performance in terms of false positive rate (FPR) is characterized as a function of the key hyperparameters. Simulation results highlight the effectiveness of CD-CRC, particularly in communication resource-constrained environments, making it a valuable tool for enhancing the performance and reliability of distributed sensor networks.
Authors: Roy Friedman, Rhea Chowers
Abstract: We propose a new method for generating realistic datasets with distribution shifts using any decoder-based generative model. Our approach systematically creates datasets with varying intensities of distribution shifts, facilitating a comprehensive analysis of model performance degradation. We then use these generated datasets to evaluate the performance of various commonly used networks and observe a consistent decline in performance with increasing shift intensity, even when the effect is almost perceptually unnoticeable to the human eye. We see this degradation even when using data augmentations. We also find that enlarging the training dataset beyond a certain point has no effect on the robustness and that stronger inductive biases increase robustness.
Authors: Kerem Cekmeceli, Meva Himmetoglu, Guney I. Tombak, Anna Susmelj, Ertunc Erdil, Ender Konukoglu
Abstract: Neural networks achieve state-of-the-art performance in many supervised learning tasks when the training data distribution matches the test data distribution. However, their performance drops significantly under domain (covariate) shift, a prevalent issue in medical image segmentation due to varying acquisition settings across different scanner models and protocols. Recently, foundational models (FMs) trained on large datasets have gained attention for their ability to be adapted for downstream tasks and achieve state-of-the-art performance with excellent generalization capabilities on natural images. However, their effectiveness in medical image segmentation remains underexplored. In this paper, we investigate the domain generalization performance of various FMs, including DinoV2, SAM, MedSAM, and MAE, when fine-tuned using various parameter-efficient fine-tuning (PEFT) techniques such as Ladder and Rein (+LoRA) and decoder heads. We introduce a novel decode head architecture, HQHSAM, which simply integrates elements from two state-of-the-art decoder heads, HSAM and HQSAM, to enhance segmentation performance. Our extensive experiments on multiple datasets, encompassing various anatomies and modalities, reveal that FMs, particularly with the HQHSAM decode head, improve domain generalization for medical image segmentation. Moreover, we found that the effectiveness of PEFT techniques varies across different FMs. These findings underscore the potential of FMs to enhance the domain generalization performance of neural networks in medical image segmentation across diverse clinical settings, providing a solid foundation for future research. Code and models are available for research purposes at \url{https://github.com/kerem-cekmeceli/Foundation-Models-for-Medical-Imagery}.
URLs: https://github.com/kerem-cekmeceli/Foundation-Models-for-Medical-Imagery
Authors: Jingwen Tong, Jiawei Shao, Qiong Wu, Wei Guo, Zijian Li, Zehong Lin, Jun Zhang
Abstract: Wireless networks are increasingly facing challenges due to their expanding scale and complexity. These challenges underscore the need for advanced AI-driven strategies, particularly in the upcoming 6G networks. In this article, we introduce WirelessAgent, a novel approach leveraging large language models (LLMs) to develop AI agents capable of managing complex tasks in wireless networks. It can effectively improve network performance through advanced reasoning, multimodal data processing, and autonomous decision making. Thereafter, we demonstrate the practical applicability and benefits of WirelessAgent for network slicing management. The experimental results show that WirelessAgent is capable of accurately understanding user intent, effectively allocating slice resources, and consistently maintaining optimal performance.
Authors: Georg A. Gottwald, Sebastian Reich
Abstract: We consider the generative problem of sampling from an unknown distribution for which only a sufficiently large number of training samples are available. In this paper, we build on previous work combining Schr\"odinger bridges and Langevin dynamics. A key bottleneck of this approach is the exponential dependence of the required training samples on the dimension, $d$, of the ambient state space. We propose a localization strategy which exploits conditional independence of conditional expectation values. Localization thus replaces a single high-dimensional Schr\"odinger bridge problem by $d$ low-dimensional Schr\"odinger bridge problems over the available training samples. As for the original approach, the localized sampler is stable and geometric ergodic. The sampler also naturally extends to conditional sampling and to Bayesian inference. We demonstrate the performance of our proposed scheme through experiments on a Gaussian problem with increasing dimensions and on a stochastic subgrid-scale parametrization conditional sampling problem.
Authors: Kelian Baert, Shrisha Bharadwaj, Fabien Castan, Benoit Maujean, Marc Christie, Victoria Abrevaya, Adnane Boukhayma
Abstract: Feedforward monocular face capture methods seek to reconstruct posed faces from a single image of a person. Current state of the art approaches have the ability to regress parametric 3D face models in real-time across a wide range of identities, lighting conditions and poses by leveraging large image datasets of human faces. These methods however suffer from clear limitations in that the underlying parametric face model only provides a coarse estimation of the face shape, thereby limiting their practical applicability in tasks that require precise 3D reconstruction (aging, face swapping, digital make-up, ...). In this paper, we propose a method for high-precision 3D face capture taking advantage of a collection of unconstrained videos of a subject as prior information. Our proposal builds on a two stage approach. We start with the reconstruction of a detailed 3D face avatar of the person, capturing both precise geometry and appearance from a collection of videos. We then use the encoder from a pre-trained monocular face reconstruction method, substituting its decoder with our personalized model, and proceed with transfer learning on the video collection. Using our pre-estimated image formation model, we obtain a more precise self-supervision objective, enabling improved expression and pose alignment. This results in a trained encoder capable of efficiently regressing pose and expression parameters in real-time from previously unseen images, which combined with our personalized geometry model yields more accurate and high fidelity mesh inference. Through extensive qualitative and quantitative evaluation, we showcase the superiority of our final model as compared to state-of-the-art baselines, and demonstrate its generalization ability to unseen pose, expression and lighting.
Authors: Charlie Griffin, Louis Thomson, Buck Shlegeris, Alessandro Abate
Abstract: To evaluate the safety and usefulness of deployment protocols for untrusted AIs, AI Control uses a red-teaming exercise played between a protocol designer and an adversary. This paper introduces AI-Control Games, a formal decision-making model of the red-teaming exercise as a multi-objective, partially observable, stochastic game. We also introduce methods for finding optimal protocols in AI-Control Games, by reducing them to a set of zero-sum partially observable stochastic games. We apply our formalism to model, evaluate and synthesise protocols for deploying untrusted language models as programming assistants, focusing on Trusted Monitoring protocols, which use weaker language models and limited human assistance. Finally, we demonstrate the utility of our formalism by showcasing improvements over empirical studies in existing settings, evaluating protocols in new settings, and analysing how modelling assumptions affect the safety and usefulness of protocols.
Authors: Vinitra Swamy, Davide Romano, Bhargav Srinivasa Desikan, Oana-Maria Camburu, Tanja K\"aser
Abstract: Recent advances in eXplainable AI (XAI) for education have highlighted a critical challenge: ensuring that explanations for state-of-the-art AI models are understandable for non-technical users such as educators and students. In response, we introduce iLLuMinaTE, a zero-shot, chain-of-prompts LLM-XAI pipeline inspired by Miller's cognitive model of explanation. iLLuMinaTE is designed to deliver theory-driven, actionable feedback to students in online courses. iLLuMinaTE navigates three main stages - causal connection, explanation selection, and explanation presentation - with variations drawing from eight social science theories (e.g. Abnormal Conditions, Pearl's Model of Explanation, Necessity and Robustness Selection, Contrastive Explanation). We extensively evaluate 21,915 natural language explanations of iLLuMinaTE extracted from three LLMs (GPT-4o, Gemma2-9B, Llama3-70B), with three different underlying XAI methods (LIME, Counterfactuals, MC-LIME), across students from three diverse online courses. Our evaluation involves analyses of explanation alignment to the social science theory, understandability of the explanation, and a real-world user preference study with 114 university students containing a novel actionability simulation. We find that students prefer iLLuMinaTE explanations over traditional explainers 89.52% of the time. Our work provides a robust, ready-to-use framework for effectively communicating hybrid XAI-driven insights in education, with significant generalization potential for other human-centric fields.
Authors: Christopher C. Price, Yansong Li, Guanyu Zhou, Rehan Younas, Spencer S. Zeng, Tim H. Scanlon, Jason M. Munro, Christopher L. Hinkle
Abstract: Solving for the complex conditions of materials synthesis and processing requires analyzing information gathered from multiple modes of characterization. Currently, quantitative information is extracted serially with manual tools and intuition, constraining the feedback cycle for process optimization. We use machine learning to automate and generalize feature extraction for in-situ reflection high-energy electron diffraction (RHEED) data to establish quantitatively predictive relationships in small sets ($\sim$10) of expert-labeled data, and apply these to save significant time on subsequent epitaxially grown samples. The fidelity of these relationships is tested on a representative material system ($W_{1-x}V_xSe2$ growth on c-plane sapphire substrate (0001)) at two stages of synthesis with two aims: 1) predicting the grain alignment of the deposited film from the pre-growth substrate surface data, and 2) estimating the vanadium (V) dopant concentration using in-situ RHEED as a proxy for ex-situ methods (e.g. x-ray photoelectron spectroscopy). Both tasks are accomplished using the same set of materials agnostic core features, eliminating the need to retrain for specific systems and leading to a potential 80\% time saving over a 100 sample synthesis campaign. These predictions provide guidance for recipe adjustments to avoid doomed trials, reduce follow-on characterization, and improve control resolution for materials synthesis, ultimately accelerating materials discovery and commercial scale-up.
Authors: Zahra Shahrooei, Mykel J. Kochenderfer, Ali Baheri
Abstract: Testing controllers in safety-critical systems is vital for ensuring their safety and preventing failures. In this paper, we address the falsification problem within learning-based closed-loop control systems through simulation. This problem involves the identification of counterexamples that violate system safety requirements and can be formulated as an optimization task based on these requirements. Using full-fidelity simulator data in this optimization problem can be computationally expensive. To improve efficiency, we propose a multi-fidelity Bayesian optimization falsification framework that harnesses simulators with varying levels of accuracy. Our proposed framework can transition between different simulators and establish meaningful relationships between them. Through multi-fidelity Bayesian optimization, we determine both the optimal system input likely to be a counterexample and the appropriate fidelity level for assessment. We evaluated our approach across various Gym environments, each featuring different levels of fidelity. Our experiments demonstrate that multi-fidelity Bayesian optimization is more computationally efficient than full-fidelity Bayesian optimization and other baseline methods in detecting counterexamples. A Python implementation of the algorithm is available at https://github.com/SAILRIT/MFBO_Falsification.
Authors: Gil Ayache, Menachem Pirchi, Aviv Navon, Aviv Shamsian, Gill Hetz, Joseph Keshet
Abstract: Integrating named entity recognition (NER) with automatic speech recognition (ASR) can significantly enhance transcription accuracy and informativeness. In this paper, we introduce WhisperNER, a novel model that allows joint speech transcription and entity recognition. WhisperNER supports open-type NER, enabling recognition of diverse and evolving entities at inference. Building on recent advancements in open NER research, we augment a large synthetic dataset with synthetic speech samples. This allows us to train WhisperNER on a large number of examples with diverse NER tags. During training, the model is prompted with NER labels and optimized to output the transcribed utterance along with the corresponding tagged entities. To evaluate WhisperNER, we generate synthetic speech for commonly used NER benchmarks and annotate existing ASR datasets with open NER tags. Our experiments demonstrate that WhisperNER outperforms natural baselines on both out-of-domain open type NER and supervised finetuning.
Authors: Andreas Opedal, Eleanor Chodroff, Ryan Cotterell, Ethan Gotlieb Wilcox
Abstract: We present a new perspective on how readers integrate context during real-time language comprehension. Our proposals build on surprisal theory, which posits that the processing effort of a linguistic unit (e.g., a word) is an affine function of its in-context information content. We first observe that surprisal is only one out of many potential ways that a contextual predictor can be derived from a language model. Another one is the pointwise mutual information (PMI) between a unit and its context, which turns out to yield the same predictive power as surprisal when controlling for unigram frequency. Moreover, both PMI and surprisal are correlated with frequency. This means that neither PMI nor surprisal contains information about context alone. In response to this, we propose a technique where we project surprisal onto the orthogonal complement of frequency, yielding a new contextual predictor that is uncorrelated with frequency. Our experiments show that the proportion of variance in reading times explained by context is a lot smaller when context is represented by the orthogonalized predictor. From an interpretability standpoint, this indicates that previous studies may have overstated the role that context has in predicting reading times.
Authors: Xianghao Zhan, Yuzhe Liu, Nicholas J. Cecchi, Jessica Towns, Ashlyn A. Callan, Olivier Gevaert, Michael M. Zeineh, David B. Camarillo
Abstract: Objective: Head impact information including impact directions, speeds and force are important to study traumatic brain injury, design and evaluate protective gears. This study presents a deep learning model developed to accurately predict head impact information, including location, speed, orientation, and force, based on head kinematics during helmeted impacts. Methods: Leveraging a dataset of 16,000 simulated helmeted head impacts using the Riddell helmet finite element model, we implemented a Long Short-Term Memory (LSTM) network to process the head kinematics: tri-axial linear accelerations and angular velocities. Results: The models accurately predict the impact parameters describing impact location, direction, speed, and the impact force profile with R2 exceeding 70% for all tasks. Further validation was conducted using an on-field dataset recorded by instrumented mouthguards and videos, consisting of 79 head impacts in which the impact location can be clearly identified. The deep learning model significantly outperformed existing methods, achieving a 79.7% accuracy in identifying impact locations, compared to lower accuracies with traditional methods (the highest accuracy of existing methods is 49.4%). Conclusion: The precision underscores the model's potential in enhancing helmet design and safety in sports by providing more accurate impact data. Future studies should test the models across various helmets and sports on large in vivo datasets to validate the accuracy of the models, employing techniques like transfer learning to broaden its effectiveness.
Authors: Aaron Steiner, Ralph Peeters, Christian Bizer
Abstract: Generative large language models (LLMs) are a promising alternative to pre-trained language models for entity matching due to their high zero-shot performance and their ability to generalize to unseen entities. Existing research on using LLMs for entity matching has focused on prompt engineering and in-context learning. This paper explores the potential of fine-tuning LLMs for entity matching. We analyze fine-tuning along two dimensions: 1) The representation of training examples, where we experiment with adding different types of LLM-generated explanations to the training set, and 2) the selection and generation of training examples using LLMs. In addition to the matching performance on the source dataset, we investigate how fine-tuning affects the model's ability to generalize to other in-domain datasets as well as across topical domains. Our experiments show that fine-tuning significantly improves the performance of the smaller models while the results for the larger models are mixed. Fine-tuning also improves the generalization to in-domain datasets while hurting cross-domain transfer. We show that adding structured explanations to the training set has a positive impact on the performance of three out of four LLMs, while the proposed example selection and generation methods only improve the performance of Llama 3.1 8B while decreasing the performance of GPT-4o Mini.
Authors: Joy Hsu, Jiayuan Mao, Joshua B. Tenenbaum, Noah D. Goodman, Jiajun Wu
Abstract: A unique aspect of human visual understanding is the ability to flexibly interpret abstract concepts: acquiring lifted rules explaining what they symbolize, grounding them across familiar and unfamiliar contexts, and making predictions or reasoning about them. While off-the-shelf vision-language models excel at making literal interpretations of images (e.g., recognizing object categories such as tree branches), they still struggle to make sense of such visual abstractions (e.g., how an arrangement of tree branches may form the walls of a maze). To address this challenge, we introduce Deep Schema Grounding (DSG), a framework that leverages explicit structured representations of visual abstractions for grounding and reasoning. At the core of DSG are schemas--dependency graph descriptions of abstract concepts that decompose them into more primitive-level symbols. DSG uses large language models to extract schemas, then hierarchically grounds concrete to abstract components of the schema onto images with vision-language models. The grounded schema is used to augment visual abstraction understanding. We systematically evaluate DSG and different methods in reasoning on our new Visual Abstractions Dataset, which consists of diverse, real-world images of abstract concepts and corresponding question-answer pairs labeled by humans. We show that DSG significantly improves the abstract visual reasoning performance of vision-language models, and is a step toward human-aligned understanding of visual abstractions.
Authors: Andi Peng, Belinda Z. Li, Ilia Sucholutsky, Nishanth Kumar, Julie A. Shah, Jacob Andreas, Andreea Bobu
Abstract: Many approaches to robot learning begin by inferring a reward function from a set of human demonstrations. To learn a good reward, it is necessary to determine which features of the environment are relevant before determining how these features should be used to compute reward. End-to-end methods for joint feature and reward learning (e.g., using deep networks or program synthesis techniques) often yield brittle reward functions that are sensitive to spurious state features. By contrast, humans can often generalizably learn from a small number of demonstrations by incorporating strong priors about what features of a demonstration are likely meaningful for a task of interest. How do we build robots that leverage this kind of background knowledge when learning from new demonstrations? This paper describes a method named ALGAE (Adaptive Language-Guided Abstraction from [Contrastive] Explanations) which alternates between using language models to iteratively identify human-meaningful features needed to explain demonstrated behavior, then standard inverse reinforcement learning techniques to assign weights to these features. Experiments across a variety of both simulated and real-world robot environments show that ALGAE learns generalizable reward functions defined on interpretable features using only small numbers of demonstrations. Importantly, ALGAE can recognize when features are missing, then extract and define those features without any human input -- making it possible to quickly and efficiently acquire rich representations of user behavior.
Authors: Jinsu Kim, Jaemin Seo
Abstract: This research explores the application of Deep Reinforcement Learning (DRL) to optimize the design of a nuclear fusion reactor. DRL can efficiently address the challenging issues attributed to multiple physics and engineering constraints for steady-state operation. The fusion reactor design computation and the optimization code applicable to parallelization with DRL are developed. The proposed framework enables finding the optimal reactor design that satisfies the operational requirements while reducing building costs. Multi-objective design optimization for a fusion reactor is now simplified by DRL, indicating the high potential of the proposed framework for advancing the efficient and sustainable design of future reactors.
Authors: Hakan T. Otal, M. Abdullah Canbaz
Abstract: The rapid evolution of cyber threats necessitates innovative solutions for detecting and analyzing malicious activity. Honeypots, which are decoy systems designed to lure and interact with attackers, have emerged as a critical component in cybersecurity. In this paper, we present a novel approach to creating realistic and interactive honeypot systems using Large Language Models (LLMs). By fine-tuning a pre-trained open-source language model on a diverse dataset of attacker-generated commands and responses, we developed a honeypot capable of sophisticated engagement with attackers. Our methodology involved several key steps: data collection and processing, prompt engineering, model selection, and supervised fine-tuning to optimize the model's performance. Evaluation through similarity metrics and live deployment demonstrated that our approach effectively generates accurate and informative responses. The results highlight the potential of LLMs to revolutionize honeypot technology, providing cybersecurity professionals with a powerful tool to detect and analyze malicious activity, thereby enhancing overall security infrastructure.
Authors: Abhishek Dangeti, Pavan Gajula, Vivek Srivastava, Vikram Jamwal
Abstract: Clustering artworks based on style has many potential real-world applications like art recommendations, style-based search and retrieval, and the study of artistic style evolution in an artwork corpus. However, clustering artworks based on style is largely an unaddressed problem. A few present methods for clustering artworks principally rely on generic image feature representations derived from deep neural networks and do not specifically deal with the artistic style. In this paper, we introduce and deliberate over the notion of style-based clustering of visual artworks. Our main objective is to explore neural feature representations and architectures that can be used for style-based clustering and observe their impact and effectiveness. We develop different methods and assess their relative efficacy for style-based clustering through qualitative and quantitative analysis by applying them to four artwork corpora and four curated synthetically styled datasets. Our analysis provides some key novel insights on architectures, feature representations, and evaluation methods suitable for style-based clustering.
Authors: Runjia Li, Junlin Han, Luke Melas-Kyriazi, Chunyi Sun, Zhaochong An, Zhongrui Gui, Shuyang Sun, Philip Torr, Tomas Jakab
Abstract: We present DreamBeast, a novel method based on score distillation sampling (SDS) for generating fantastical 3D animal assets composed of distinct parts. Existing SDS methods often struggle with this generation task due to a limited understanding of part-level semantics in text-to-image diffusion models. While recent diffusion models, such as Stable Diffusion 3, demonstrate a better part-level understanding, they are prohibitively slow and exhibit other common problems associated with single-view diffusion models. DreamBeast overcomes this limitation through a novel part-aware knowledge transfer mechanism. For each generated asset, we efficiently extract part-level knowledge from the Stable Diffusion 3 model into a 3D Part-Affinity implicit representation. This enables us to instantly generate Part-Affinity maps from arbitrary camera views, which we then use to modulate the guidance of a multi-view diffusion model during SDS to create 3D assets of fantastical animals. DreamBeast significantly enhances the quality of generated 3D creatures with user-specified part compositions while reducing computational overhead, as demonstrated by extensive quantitative and qualitative evaluations.
Authors: Omer Regev, Omri Avrahami, Dani Lischinski
Abstract: Recent advancements in generative models have revolutionized image generation and editing, making these tasks accessible to non-experts. This paper focuses on local image editing, particularly the task of adding new content to a loosely specified area. Existing methods often require a precise mask or a detailed description of the location, which can be cumbersome and prone to errors. We propose Click2Mask, a novel approach that simplifies the local editing process by requiring only a single point of reference (in addition to the content description). A mask is dynamically grown around this point during a Blended Latent Diffusion (BLD) process, guided by a masked CLIP-based semantic loss. Click2Mask surpasses the limitations of segmentation-based and fine-tuning dependent methods, offering a more user-friendly and contextually accurate solution. Our experiments demonstrate that Click2Mask not only minimizes user effort but also delivers competitive or superior local image manipulation results compared to SoTA methods, according to both human judgement and automatic metrics. Key contributions include the simplification of user input, the ability to freely add objects unconstrained by existing segments, and the integration potential of our dynamic mask approach within other editing methods.
Authors: Shauli Ravfogel, Michael Twiton, Yoav Goldberg, Ryan Cotterell
Abstract: Modern neural models trained on textual data rely on pre-trained representations that emerge without direct supervision. As these representations are increasingly being used in real-world applications, the inability to \emph{control} their content becomes an increasingly important problem. We formulate the problem of identifying and erasing a linear subspace that corresponds to a given concept, in order to prevent linear predictors from recovering the concept. We model this problem as a constrained, linear maximin game, and show that existing solutions are generally not optimal for this task. We derive a closed-form solution for certain objectives, and propose a convex relaxation, \method, that works well for others. When evaluated in the context of binary gender removal, the method recovers a low-dimensional subspace whose removal mitigates bias by intrinsic and extrinsic evaluation. We show that the method is highly expressive, effectively mitigating bias in deep nonlinear classifiers while maintaining tractability and interpretability.
Authors: Muhammad Ishaq, Sana Zahir, Laila Iftikhar, Mohammad Farhad Bulbul, Seungmin Rho, Mi Young Lee
Abstract: In order to predict and fill in the gaps in categorical datasets, this research looked into the use of machine learning algorithms. The emphasis was on ensemble models constructed using the Error Correction Output Codes framework, including models based on SVM and KNN as well as a hybrid classifier that combines models based on SVM, KNN,and MLP. Three diverse datasets, the CPU, Hypothyroid, and Breast Cancer datasets were employed to validate these algorithms. Results indicated that these machine learning techniques provided substantial performance in predicting and completing missing data, with the effectiveness varying based on the specific dataset and missing data pattern. Compared to solo models, ensemble models that made use of the ECOC framework significantly improved prediction accuracy and robustness. Deep learning for missing data imputation has obstacles despite these encouraging results, including the requirement for large amounts of labeled data and the possibility of overfitting. Subsequent research endeavors ought to evaluate the feasibility and efficacy of deep learning algorithms in the context of the imputation of missing data.
Authors: Antti P\"oll\"anen, Pekka Marttinen
Abstract: In some causal inference scenarios, the treatment variable is measured inaccurately, for instance in epidemiology or econometrics. Failure to correct for the effect of this measurement error can lead to biased causal effect estimates. Previous research has not studied methods that address this issue from a causal viewpoint while allowing for complex nonlinear dependencies and without assuming access to side information. For such a scenario, this study proposes a model that assumes a continuous treatment variable that is inaccurately measured. Building on existing results for measurement error models, we prove that our model's causal effect estimates are identifiable, even without side information and knowledge of the measurement error variance. Our method relies on a deep latent variable model in which Gaussian conditionals are parameterized by neural networks, and we develop an amortized importance-weighted variational objective for training the model. Empirical results demonstrate the method's good performance with unknown measurement error. More broadly, our work extends the range of applications in which reliable causal inference can be conducted.
Authors: Enneng Yang, Zhenyi Wang, Li Shen, Nan Yin, Tongliang Liu, Guibing Guo, Xingwei Wang, Dacheng Tao
Abstract: Continual learning (CL) aims to learn new tasks without forgetting previous tasks. However, existing CL methods require a large amount of raw data, which is often unavailable due to copyright considerations and privacy risks. Instead, stakeholders usually release pre-trained machine learning models as a service (MLaaS), which users can access via APIs. This paper considers two practical-yet-novel CL settings: data-efficient CL (DECL-APIs) and data-free CL (DFCL-APIs), which achieve CL from a stream of APIs with partial or no raw data. Performing CL under these two new settings faces several challenges: unavailable full raw data, unknown model parameters, heterogeneous models of arbitrary architecture and scale, and catastrophic forgetting of previous APIs. To overcome these issues, we propose a novel data-free cooperative continual distillation learning framework that distills knowledge from a stream of APIs into a CL model by generating pseudo data, just by querying APIs. Specifically, our framework includes two cooperative generators and one CL model, forming their training as an adversarial game. We first use the CL model and the current API as fixed discriminators to train generators via a derivative-free method. Generators adversarially generate hard and diverse synthetic data to maximize the response gap between the CL model and the API. Next, we train the CL model by minimizing the gap between the responses of the CL model and the black-box API on synthetic data, to transfer the API's knowledge to the CL model. Furthermore, we propose a new regularization term based on network similarity to prevent catastrophic forgetting of previous APIs.Our method performs comparably to classic CL with full raw data on the MNIST and SVHN in the DFCL-APIs setting. In the DECL-APIs setting, our method achieves 0.97x, 0.75x and 0.69x performance of classic CL on CIFAR10, CIFAR100, and MiniImageNet.
Authors: Xiaotian Han, Hanqing Zeng, Yu Chen, Shaoliang Nie, Jingzhou Liu, Kanika Narang, Zahra Shakeri, Karthik Abinav Sankararaman, Song Jiang, Madian Khabsa, Qifan Wang, Xia Hu
Abstract: This paper investigates the relationship between graph convolution and Mixup techniques. Graph convolution in a graph neural network involves aggregating features from neighboring samples to learn representative features for a specific node or sample. On the other hand, Mixup is a data augmentation technique that generates new examples by averaging features and one-hot labels from multiple samples. One commonality between these techniques is their utilization of information from multiple samples to derive feature representation. This study aims to explore whether a connection exists between these two approaches. Our investigation reveals that, under two mild conditions, graph convolution can be viewed as a specialized form of Mixup that is applied during both the training and testing phases. The two conditions are: 1) \textit{Homophily Relabel} - assigning the target node's label to all its neighbors, and 2) \textit{Test-Time Mixup} - Mixup the feature during the test time. We establish this equivalence mathematically by demonstrating that graph convolution networks (GCN) and simplified graph convolution (SGC) can be expressed as a form of Mixup. We also empirically verify the equivalence by training an MLP using the two conditions to achieve comparable performance.
Authors: Holger L\"owe, Christian A. Scholbeck, Christian Heumann, Bernd Bischl, Giuseppe Casalicchio
Abstract: Forward marginal effects have recently been introduced as a versatile and effective model-agnostic interpretation method particularly suited for non-linear and non-parametric prediction models. They provide comprehensible model explanations of the form: if we change feature values by a pre-specified step size, what is the change in the predicted outcome? We present the R package fmeffects, the first software implementation of the theory surrounding forward marginal effects. The relevant theoretical background, package functionality and handling, as well as the software design and options for future extensions are discussed in this paper.
Authors: Son Nguyen, Adam Wang, Albert Montillo
Abstract: Traditional deep learning (DL) models face two key challenges. First, they assume training samples are independent and identically distributed, an assumption often violated in real-world datasets where samples are grouped by shared measurements (e.g., participants or cells). This leads to performance degradation, limited generalization, and confounding issues, causing Type 1 and Type 2 errors. Second, DL models typically prioritize overall accuracy, often overlooking fairness across underrepresented groups, leading to biased outcomes in critical areas such as loan approvals and healthcare decisions. To address these issues, we introduce the Fair Mixed Effects Deep Learning (Fair MEDL) framework. Fair MEDL quantifies cluster-invariant fixed effects (FE) and cluster-specific random effects (RE) through 1) a cluster adversary for learning invariant FE, 2) a Bayesian neural network for RE, and 3) a mixing function combining FE and RE for final predictions. Additionally, we incorporate adversarial debiasing to promote fairness across three key metrics: Equalized Odds, Demographic Parity, and Counterfactual Fairness. Our method also identifies and de-weights confounding probes, improving interpretability. Evaluated on three datasets from finance and healthcare, Fair MEDL improves fairness by up to 73% for age, 47% for race, 83% for sex, and 26% for marital status, while maintaining robust predictive performance. Our implementation is publicly available on GitHub.
Authors: Moshe Eliasof, Davide Murari, Ferdia Sherry, Carola-Bibiane Sch\"onlieb
Abstract: Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This paper introduces an innovative approach to fortify GNNs against adversarial perturbations through the lens of coupled dynamical systems. Our method introduces graph neural layers based on differential equations with contractive properties, which, as we show, improve the robustness of GNNs. A distinctive feature of the proposed approach is the simultaneous learned evolution of both the node features and the adjacency matrix, yielding an intrinsic enhancement of model robustness to perturbations in the input features and the connectivity of the graph. We mathematically derive the underpinnings of our novel architecture and provide theoretical insights to reason about its expected behavior. We demonstrate the efficacy of our method through numerous real-world benchmarks, reading on par or improved performance compared to existing methods.
Authors: Kay Liu, Hengrui Zhang, Ziqing Hu, Fangxin Wang, Philip S. Yu
Abstract: Graph outlier detection is a prominent task of research and application in the realm of graph neural networks. It identifies the outlier nodes that exhibit deviation from the majority in the graph. One of the fundamental challenges confronting supervised graph outlier detection algorithms is the prevalent issue of class imbalance, where the scarcity of outlier instances compared to normal instances often results in suboptimal performance. Conventional methods mitigate the imbalance by reweighting instances in the estimation of the loss function, assigning higher weights to outliers and lower weights to inliers. Nonetheless, these strategies are prone to overfitting and underfitting, respectively. Recently, generative models, especially diffusion models, have demonstrated their efficacy in synthesizing high-fidelity images. Despite their extraordinary generation quality, their potential in data augmentation for supervised graph outlier detection remains largely underexplored. To bridge this gap, we introduce GODM, a novel data augmentation for mitigating class imbalance in supervised Graph Outlier detection with latent Diffusion Models. Specifically, our proposed method consists of three key components: (1) Variantioanl Encoder maps the heterogeneous information inherent within the graph data into a unified latent space. (2) Graph Generator synthesizes graph data that are statistically similar to real outliers from latent space, and (3) Latent Diffusion Model learns the latent space distribution of real organic data by iterative denoising. Extensive experiments conducted on multiple datasets substantiate the effectiveness and efficiency of GODM. The case study further demonstrated the generation quality of our synthetic data. To foster accessibility and reproducibility, we encapsulate GODM into a plug-and-play package and release it at the Python Package Index (PyPI).
Authors: Erisa Hasani, Rachel A. Ward
Abstract: Numerous developments in the recent literature show the promising potential of deep learning in obtaining numerical solutions to partial differential equations (PDEs) beyond the reach of current numerical solvers. However, data-driven neural operators all suffer from a similar problem: the data needed to train a network depends on classical numerical solvers such as finite difference or finite element, among others. In this paper, we propose a different approach to generating synthetic functional training data that does not require solving a PDE numerically. We draw a large number $N$ of independent and identically distributed 'random functions' $u_j$ from the underlying solution space (e.g., $H_0^1(\Omega)$) in which we know the solution lies according to classical theory. We then plug each such random candidate solution into the equation and get a corresponding right-hand side function $f_j$ for the equation, and consider $(f_j, u_j)_{j=1}^N$ as supervised training data for learning the underlying inverse problem $f \rightarrow u$. This `backwards' approach to generating training data only requires derivative computations, in contrast to standard `forward' approaches, which require a numerical PDE solver, enabling us to generate many data points quickly and efficiently. While the idea is simple, we hope this method will expand the potential for developing neural PDE solvers that do not depend on classical numerical solvers.
Authors: Charles Meyers, Mohammad Reza Saleh Sedghpour, Tommy L\"ofstedt, Erik Elmroth
Abstract: Machine learning models -- deep neural networks in particular -- have performed remarkably well on benchmark datasets across a wide variety of domains. However, the ease of finding adversarial counter-examples remains a persistent problem when training times are measured in hours or days and the time needed to find a successful adversarial counter-example is measured in seconds. Much work has gone into generating and defending against these adversarial counter-examples, however the relative costs of attacks and defences are rarely discussed. Additionally, machine learning research is almost entirely guided by test/train metrics, but these would require billions of samples to meet industry standards. The present work addresses the problem of understanding and predicting how particular model hyper-parameters influence the performance of a model in the presence of an adversary. The proposed approach uses survival models, worst-case examples, and a cost-aware analysis to precisely and accurately reject a particular model change during routine model training procedures rather than relying on real-world deployment, expensive formal verification methods, or accurate simulations of very complicated systems (\textit{e.g.}, digitally recreating every part of a car or a plane). Through an evaluation of many pre-processing techniques, adversarial counter-examples, and neural network configurations, the conclusion is that deeper models do offer marginal gains in survival times compared to more shallow counterparts. However, we show that those gains are driven more by the model inference time than inherent robustness properties. Using the proposed methodology, we show that ResNet is hopelessly insecure against even the simplest of white box attacks.
Authors: Shengjie Wang, Shaohuai Liu, Weirui Ye, Jiacheng You, Yang Gao
Abstract: Sample efficiency remains a crucial challenge in applying Reinforcement Learning (RL) to real-world tasks. While recent algorithms have made significant strides in improving sample efficiency, none have achieved consistently superior performance across diverse domains. In this paper, we introduce EfficientZero V2, a general framework designed for sample-efficient RL algorithms. We have expanded the performance of EfficientZero to multiple domains, encompassing both continuous and discrete actions, as well as visual and low-dimensional inputs. With a series of improvements we propose, EfficientZero V2 outperforms the current state-of-the-art (SOTA) by a significant margin in diverse tasks under the limited data setting. EfficientZero V2 exhibits a notable advancement over the prevailing general algorithm, DreamerV3, achieving superior outcomes in 50 of 66 evaluated tasks across diverse benchmarks, such as Atari 100k, Proprio Control, and Vision Control.
Authors: Xuemin Hu, Pan Chen, Yijun Wen, Bo Tang, Long Chen
Abstract: Reinforcement learning (RL) has been widely used in decision-making and control tasks, but the risk is very high for the agent in the training process due to the requirements of interaction with the environment, which seriously limits its industrial applications such as autonomous driving systems. Safe RL methods are developed to handle this issue by constraining the expected safety violation costs as a training objective, but the occurring probability of an unsafe state is still high, which is unacceptable in autonomous driving tasks. Moreover, these methods are difficult to achieve a balance between the cost and return expectations, which leads to learning performance degradation for the algorithms. In this paper, we propose a novel algorithm based on the long and short-term constraints (LSTC) for safe RL. The short-term constraint aims to enhance the short-term state safety that the vehicle explores, while the long-term constraint enhances the overall safety of the vehicle throughout the decision-making process, both of which are jointly used to enhance the vehicle safety in the training process. In addition, we develop a safe RL method with dual-constraint optimization based on the Lagrange multiplier to optimize the training process for end-to-end autonomous driving. Comprehensive experiments were conducted on the MetaDrive simulator. Experimental results demonstrate that the proposed method achieves higher safety in continuous state and action tasks, and exhibits higher exploration performance in long-distance decision-making tasks compared with state-of-the-art methods.
Authors: Manfred Diaz, Liam Paull, Andrea Tacchetti
Abstract: Teacher-Student Curriculum Learning (TSCL) is a curriculum learning framework that draws inspiration from human cultural transmission and learning. It involves a teacher algorithm shaping the learning process of a learner algorithm by exposing it to controlled experiences. Despite its success, understanding the conditions under which TSCL is effective remains challenging. In this paper, we propose a data-centric perspective to analyze the underlying mechanics of the teacher-student interactions in TSCL. We leverage cooperative game theory to describe how the composition of the set of experiences presented by the teacher to the learner, as well as their order, influences the performance of the curriculum that is found by TSCL approaches. To do so, we demonstrate that for every TSCL problem, an equivalent cooperative game exists, and several key components of the TSCL framework can be reinterpreted using game-theoretic principles. Through experiments covering supervised learning, reinforcement learning, and classical games, we estimate the cooperative values of experiences and use value-proportional curriculum mechanisms to construct curricula, even in cases where TSCL struggles. The framework and experimental setup we present in this work represents a novel foundation for a deeper exploration of TSCL, shedding light on its underlying mechanisms and providing insights into its broader applicability in machine learning.
Authors: Jarek Duda
Abstract: Biological neural networks seem qualitatively superior (e.g. in learning, flexibility, robustness) to current artificial like Multi-Layer Perceptron (MLP) or Kolmogorov-Arnold Network (KAN). Simultaneously, in contrast to them: biological have fundamentally multidirectional signal propagation~\cite{axon}, also of probability distributions e.g. for uncertainty estimation, and are believed not being able to use standard backpropagation training~\cite{backprop}. There are proposed novel artificial neurons based on HCR (Hierarchical Correlation Reconstruction) allowing to remove the above low level differences: with neurons containing local joint distribution model (of its connections), representing joint density on normalized variables as just linear combination of $(f_\mathbf{j})$ orthonormal polynomials: $\rho(\mathbf{x})=\sum_{\mathbf{j}\in B} a_\mathbf{j} f_\mathbf{j}(\mathbf{x})$ for $\mathbf{x} \in [0,1]^d$ and $B$ some chosen basis, approaching complete description of joint distribution with basis growth. By various index summations of such $(a_\mathbf{j})$ tensor as neuron parameters, we get simple formulas for e.g. conditional expected values for propagation in any direction, like $E[x|y,z]$, $E[y|x]$, which degenerate to KAN-like parametrization if restricting to pairwise dependencies. Such HCR network can also propagate probability distributions (also joint) like $\rho(y,z|x)$. It also allows for additional training approaches, like direct $(a_\mathbf{j})$ estimation, through tensor decomposition, or more biologically plausible information bottleneck training: layers directly influencing only neighbors, optimizing content to maximize information about the next layer, and minimizing about the previous to remove noise, extract crucial information.
Authors: Feilong Jiang, Xiaonan Hou, Min Xia
Abstract: As a promising framework for resolving partial differential equations (PDEs), Physics-Informed Neural Networks (PINNs) have received widespread attention from industrial and scientific fields. However, lack of expressive ability and initialization pathology issues are found to prevent the application of PINNs in complex PDEs. In this work, we propose Deeper Physics-Informed Neural Network (Deeper-PINN) to resolve these issues. The element-wise multiplication operation is adopted to transform features into high-dimensional, non-linear spaces. Benefiting from element-wise multiplication operation, Deeper-PINNs can alleviate the initialization pathologies of PINNs and enhance the expressive capability of PINNs. The proposed structure is verified on various benchmarks. The results show that Deeper-PINNs can effectively resolve the initialization pathology and exhibit strong expressive ability.
Authors: Zahra Shahrooei, Ali Baheri
Abstract: The primary goal of reinforcement learning is to develop decision-making policies that prioritize optimal performance without considering risk or safety. In contrast, safe reinforcement learning aims to mitigate or avoid unsafe states. This paper presents a risk-sensitive Q-learning algorithm that leverages optimal transport theory to enhance the agent safety. By integrating optimal transport into the Q-learning framework, our approach seeks to optimize the policy's expected return while minimizing the Wasserstein distance between the policy's stationary distribution and a predefined risk distribution, which encapsulates safety preferences from domain experts. We validate the proposed algorithm in a Gridworld environment. The results indicate that our method significantly reduces the frequency of visits to risky states and achieves faster convergence to a stable policy compared to the traditional Q-learning algorithm.
Authors: Nick John Eliopoulos, Purvish Jajal, James Davis, Gaowen Liu, George K. Thiravathukal, Yung-Hsiang Lu
Abstract: This paper investigates how to efficiently deploy vision transformers on edge devices for small workloads. Recent methods reduce the latency of transformer neural networks by removing or merging tokens, with small accuracy degradation. However, these methods are not designed with edge device deployment in mind: they do not leverage information about the latency-workload trends to improve efficiency. We address this shortcoming in our work. First, we identify factors that affect ViT latency-workload relationships. Second, we determine token pruning schedule by leveraging non-linear latency-workload relationships. Third, we demonstrate a training-free, token pruning method utilizing this schedule. We show other methods may increase latency by 2-30%, while we reduce latency by 9-26%. For similar latency (within 5.2% or 7ms) across devices we achieve 78.6%-84.5% ImageNet1K accuracy, while the state-of-the-art, Token Merging, achieves 45.8%-85.4%.
Authors: Alberto Pirillo, Luca Colombo, Manuel Roveri
Abstract: Quantization has become increasingly pivotal in addressing the steadily increasing computational and memory requirements of Deep Neural Networks (DNNs). By reducing the number of bits used to represent weights and activations (typically from 32-bit floating-point to 16-bit or 8-bit integers), quantization reduces the memory footprint, energy consumption, and execution time of DNN models. However, traditional quantization methods typically focus on the inference of DNNs, while the training process still relies on floating-point operations. To date, only one work in the literature has addressed integer-only training for Multi-Layer Perceptron (MLP) architectures. This work introduces NITRO-D, a new framework for training arbitrarily deep integer-only Convolutional Neural Networks (CNNs) that operate entirely in the integer-only domain for both training and inference. NITRO-D is the first framework in the literature enabling the training of integer-only CNNs without the need to introduce a quantization scheme. Specifically, NITRO-D introduces a novel architecture integrating multiple integer local-loss blocks, which include the proposed NITRO Scaling Layer and the NITRO-ReLU activation function. Additionally, it introduces a novel integer-only learning algorithm derived from Local Error Signals (LES), utilizing IntegerSGD, an optimizer specifically designed to operate in an integer-only context. NITRO-D is implemented in an open-source Python library. Extensive experimental evaluations demonstrate its effectiveness across several state-of-the-art image recognition datasets. Results show significant performance improvements from 2.47% to 5.96% for integer-only MLP architectures over the state-of-the-art solution, and the capability of training integer-only CNN architectures with minimal accuracy degradation from -0.15% to -4.22% compared to floating-point LES.
Authors: Orson Mengara
Abstract: Since the advent of generative artificial intelligence, every company and researcher has been rushing to develop their own generative models, whether commercial or not. Given the large number of users of these powerful new tools, there is currently no intrinsically verifiable way to explain from the ground up what happens when LLMs (large language models) learn. For example, those based on automatic speech recognition systems, which have to rely on huge and astronomical amounts of data collected from all over the web to produce fast and efficient results, In this article, we develop a backdoor attack called MarketBackFinal 2.0, based on acoustic data poisoning, MarketBackFinal 2.0 is mainly based on modern stock market models. In order to show the possible vulnerabilities of speech-based transformers that may rely on LLMs.
Authors: Benedikt H\"oltgen, Robert C. Williamson
Abstract: Machine Learning research, as most of Statistics, heavily relies on the concept of a data-generating probability distribution. The standard presumption is that since data points are `sampled from' such a distribution, one can learn from observed data about this distribution and, thus, predict future data points which, it is presumed, are also drawn from it. Drawing on scholarship across disciplines, we here argue that this framework is not always a good model. Not only do such true probability distributions not exist; the framework can also be misleading and obscure both the choices made and the goals pursued in machine learning practice. We suggest an alternative framework that focuses on finite populations rather than abstract distributions; while classical learning theory can be left almost unchanged, it opens new opportunities, especially to model sampling. We compile these considerations into five reasons for modelling machine learning -- in some settings -- with finite populations rather than generative distributions, both to be more faithful to practice and to provide novel theoretical insights.
Authors: Xiner Li, Yulai Zhao, Chenyu Wang, Gabriele Scalia, Gokcen Eraslan, Surag Nair, Tommaso Biancalani, Aviv Regev, Sergey Levine, Masatoshi Uehara
Abstract: Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (\textit{e.g.}, classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (\textit{e.g.}, classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at \href{https://github.com/masa-ue/SVDD}{https://github.com/masa-ue/SVDD}.
URLs: https://github.com/masa-ue/SVDD, https://github.com/masa-ue/SVDD
Authors: Shengxiang Hu, Guobing Zou, Bofeng Zhang, Shaogang Wu, Shiyi Lin, Yanglan Gan, Yixin Chen
Abstract: Accurate prediction of temporal QoS is crucial for maintaining service reliability and enhancing user satisfaction in dynamic service-oriented environments. However, current methods often neglect high-order latent collaborative relationships and fail to dynamically adjust feature learning for specific user-service invocations, which are critical for precise feature extraction within each time slice. Moreover, the prevalent use of RNNs for modeling temporal feature evolution patterns is constrained by their inherent difficulty in managing long-range dependencies, thereby limiting the detection of long-term QoS trends across multiple time slices. These shortcomings dramatically degrade the performance of temporal QoS prediction. To address the two issues, we propose a novel Graph Attention Collaborative Learning (GACL) framework for temporal QoS prediction. Building on a dynamic user-service invocation graph to comprehensively model historical interactions, it designs a target-prompt graph attention network to extract deep latent features of users and services at each time slice, considering implicit target-neighboring collaborative relationships and historical QoS values. Additionally, a multi-layer Transformer encoder is introduced to uncover temporal feature evolution patterns, enhancing temporal QoS prediction. Extensive experiments on the WS-DREAM dataset demonstrate that GACL significantly outperforms state-of-the-art methods for temporal QoS prediction across multiple evaluation metrics, achieving the improvements of up to 38.80%.
Authors: Yuqing Zhao, Divya Saxena, Jiannong Cao, Xiaoyun Liu, Changlin Song
Abstract: In continual learning (CL), model growth enhances adaptability over new data, improving knowledge retention for more tasks. However, improper model growth can lead to severe degradation of previously learned knowledge, an issue we name as growth-induced forgetting (GIFt), especially in task-agnostic CL using entire grown model for inference. Existing works, despite adopting model growth and random initialization for better adaptability, often fail to recognize the presence of GIFt caused by improper model growth. This oversight limits comprehensive control of forgetting and hinders full utilization of model growth. We are the first in CL to identify this issue and conduct an in-depth study on root cause of GIFt, where layer expansion stands out among model growth strategies, widening layers without affecting model functionality. Yet, direct adoption of layer expansion presents challenges. It lacks data-driven control and initialization of expanded parameters to balance adaptability and knowledge retention. This paper presents a novel SparseGrow approach to overcome the issue of GIFt while enhancing adaptability over new data. SparseGrow employs data-driven sparse layer expansion to control efficient parameter usage during growth, reducing GIFt from excessive growth and functionality changes. It also combines sparse growth with on-data initialization at training late-stage to create partially 0-valued expansions that fit learned distribution, enhancing retention and adaptability. To further minimize forgetting, freezing is applied by calculating the sparse mask, allowing data-driven preservation of important parameters. Through experiments across datasets with various settings, cases and task numbers, we demonstrate the necessity of layer expansion and showcase the effectiveness of SparseGrow in overcoming GIFt, highlighting its adaptability and knowledge retention for incremental tasks.
Authors: Kaihui Cheng, Ce Liu, Qingkun Su, Jun Wang, Liwei Zhang, Yining Tang, Yao Yao, Siyu Zhu, Yuan Qi
Abstract: Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated structure prediction, the dynamic nature of protein structures has received limited attention. This study introduces an innovative 4D diffusion model incorporating molecular dynamics (MD) simulation data to learn dynamic protein structures. Our approach is distinguished by the following components: (1) a unified diffusion model capable of generating dynamic protein structures, including both the backbone and side chains, utilizing atomic grouping and side-chain dihedral angle predictions; (2) a reference network that enhances structural consistency by integrating the latent embeddings of the initial 3D protein structures; and (3) a motion alignment module aimed at improving temporal structural coherence across multiple time steps. To our knowledge, this is the first diffusion-based model aimed at predicting protein trajectories across multiple time steps simultaneously. Validation on benchmark datasets demonstrates that our model exhibits high accuracy in predicting dynamic 3D structures of proteins containing up to 256 amino acids over 32 time steps, effectively capturing both local flexibility in stable states and significant conformational changes.
Authors: Shengchen Zhu, Yiming Chen, Peiying Yu, Xiang Qu, Yuxiao Zhou, Yiming Ma, Zhizhan Zhao, Yukai Liu, Hao Mi, Bin Wang
Abstract: Accurate weather forecasting is essential for understanding and mitigating weather-related impacts. In this paper, we present PuYun, an autoregressive cascade model that leverages large kernel attention convolutional networks. The model's design inherently supports extended weather prediction horizons while broadening the effective receptive field. The integration of large kernel attention mechanisms within the convolutional layers enhances the model's capacity to capture fine-grained spatial details, thereby improving its predictive accuracy for meteorological phenomena. We introduce PuYun, comprising PuYun-Short for 0-5 day forecasts and PuYun-Medium for 5-10 day predictions. This approach enhances the accuracy of 10-day weather forecasting. Through evaluation, we demonstrate that PuYun-Short alone surpasses the performance of both GraphCast and FuXi-Short in generating accurate 10-day forecasts. Specifically, on the 10th day, PuYun-Short reduces the RMSE for Z500 to 720 $m^2/s^2$, compared to 732 $m^2/s^2$ for GraphCast and 740 $m^2/s^2$ for FuXi-Short. Additionally, the RMSE for T2M is reduced to 2.60 K, compared to 2.63 K for GraphCast and 2.65 K for FuXi-Short. Furthermore, when employing a cascaded approach by integrating PuYun-Short and PuYun-Medium, our method achieves superior results compared to the combined performance of FuXi-Short and FuXi-Medium. On the 10th day, the RMSE for Z500 is further reduced to 638 $m^2/s^2$, compared to 641 $m^2/s^2$ for FuXi. These findings underscore the effectiveness of our model ensemble in advancing medium-range weather prediction. Our training code and model will be open-sourced.
Authors: Daniel R. Clarkson, Lawrence A. Bull, Chandula T. Wickramarachchi, Elizabeth J. Cross, Timothy J. Rogers, Keith Worden, Nikolaos Dervilis, Aidan J. Hughes
Abstract: Regression is a fundamental prediction task common in data-centric engineering applications that involves learning mappings between continuous variables. In many engineering applications (e.g.\ structural health monitoring), feature-label pairs used to learn such mappings are of limited availability which hinders the effectiveness of traditional supervised machine learning approaches. The current paper proposes a methodology for overcoming the issue of data scarcity by combining active learning with hierarchical Bayesian modelling. Active learning is an approach for preferentially acquiring feature-label pairs in a resource-efficient manner. In particular, the current work adopts a risk-informed approach that leverages contextual information associated with regression-based engineering decision-making tasks (e.g.\ inspection and maintenance). Hierarchical Bayesian modelling allow multiple related regression tasks to be learned over a population, capturing local and global effects. The information sharing facilitated by this modelling approach means that information acquired for one engineering system can improve predictive performance across the population. The proposed methodology is demonstrated using an experimental case study. Specifically, multiple regressions are performed over a population of machining tools, where the quantity of interest is the surface roughness of the workpieces. An inspection and maintenance decision process is defined using these regression tasks which is in turn used to construct the active-learning algorithm. The novel methodology proposed is benchmarked against an uninformed approach to label acquisition and independent modelling of the regression tasks. It is shown that the proposed approach has superior performance in terms of expected cost -- maintaining predictive performance while reducing the number of inspections required.
Authors: Yun-Wei Chu, Dong-Jun Han, Seyyedali Hosseinalipour, Christopher Brinton
Abstract: Over the past several years, various federated learning (FL) methodologies have been developed to improve model accuracy, a primary performance metric in machine learning. However, to utilize FL in practical decision-making scenarios, beyond considering accuracy, the trained model must also have a reliable confidence in each of its predictions, an aspect that has been largely overlooked in existing FL research. Motivated by this gap, we propose Non-Uniform Calibration for Federated Learning (NUCFL), a generic framework that integrates FL with the concept of model calibration. The inherent data heterogeneity in FL environments makes model calibration particularly difficult, as it must ensure reliability across diverse data distributions and client conditions. Our NUCFL addresses this challenge by dynamically adjusting the model calibration objectives based on statistical relationships between each client's local model and the global model in FL. In particular, NUCFL assesses the similarity between local and global model relationships, and controls the penalty term for the calibration loss during client-side local training. By doing so, NUCFL effectively aligns calibration needs for the global model in heterogeneous FL settings while not sacrificing accuracy. Extensive experiments show that NUCFL offers flexibility and effectiveness across various FL algorithms, enhancing accuracy as well as model calibration.
Authors: Jun-Jie Zhang, Nan Cheng, Fu-Peng Li, Xiu-Cheng Wang, Jian-Nan Chen, Long-Gang Pang, Deyu Meng
Abstract: Understanding the mechanisms behind neural network optimization is crucial for improving network design and performance. While various optimization techniques have been developed, a comprehensive understanding of the underlying principles that govern these techniques remains elusive. Specifically, the role of symmetry breaking, a fundamental concept in physics, has not been fully explored in neural network optimization. This gap in knowledge limits our ability to design networks that are both efficient and effective. Here, we propose the symmetry breaking hypothesis to elucidate the significance of symmetry breaking in enhancing neural network optimization. We demonstrate that a simple input expansion can significantly improve network performance across various tasks, and we show that this improvement can be attributed to the underlying symmetry breaking mechanism. We further develop a metric to quantify the degree of symmetry breaking in neural networks, providing a practical approach to evaluate and guide network design. Our findings confirm that symmetry breaking is a fundamental principle that underpins various optimization techniques, including dropout, batch normalization, and equivariance. By quantifying the degree of symmetry breaking, our work offers a practical technique for performance enhancement and a metric to guide network design without the need for complete datasets and extensive training processes.
Authors: Buhua Liu, Shitong Shao, Bao Li, Lichen Bai, Zhiqiang Xu, Haoyi Xiong, James Kwok, Sumi Helal, Zeke Xie
Abstract: Diffusion models have emerged as the leading paradigm in generative modeling, excelling in various applications. Despite their success, these models often misalign with human intentions, generating outputs that may not match text prompts or possess desired properties. Inspired by the success of alignment in tuning large language models, recent studies have investigated aligning diffusion models with human expectations and preferences. This work mainly reviews alignment of diffusion models, covering advancements in fundamentals of alignment, alignment techniques of diffusion models, preference benchmarks, and evaluation for diffusion models. Moreover, we discuss key perspectives on current challenges and promising future directions on solving the remaining challenges in alignment of diffusion models. To the best of our knowledge, our work is the first comprehensive review paper for researchers and engineers to comprehend, practice, and research alignment of diffusion models.
Authors: Apostolos N. Burnetas, Odysseas Kanavetas, Michael N. Katehakis
Abstract: This paper introduces the first asymptotically optimal strategy for a multi armed bandit (MAB) model under side constraints. The side constraints model situations in which bandit activations are limited by the availability of certain resources that are replenished at a constant rate. The main result involves the derivation of an asymptotic lower bound for the regret of feasible uniformly fast policies and the construction of policies that achieve this lower bound, under pertinent conditions. Further, we provide the explicit form of such policies for the case in which the unknown distributions are Normal with unknown means and known variances, for the case of Normal distributions with unknown means and unknown variances and for the case of arbitrary discrete distributions with finite support.
Authors: Alexander Fabisch, Christoph Petzoldt, Marc Otto, Frank Kirchner
Abstract: Recent success of machine learning in many domains has been overwhelming, which often leads to false expectations regarding the capabilities of behavior learning in robotics. In this survey, we analyze the current state of machine learning for robotic behaviors. We will give a broad overview of behaviors that have been learned and used on real robots. Our focus is on kinematically or sensorially complex robots. That includes humanoid robots or parts of humanoid robots, for example, legged robots or robotic arms. We will classify presented behaviors according to various categories and we will draw conclusions about what can be learned and what should be learned. Furthermore, we will give an outlook on problems that are challenging today but might be solved by machine learning in the future and argue that classical robotics and other approaches from artificial intelligence should be integrated more with machine learning to form complete, autonomous systems.
Authors: Giuseppe Paolo, Jonas Gonzalez-Billandon, Albert Thomas, Bal\'azs K\'egl
Abstract: In the last decade, reinforcement learning successfully solved complex control tasks and decision-making problems, like the Go board game. Yet, there are few success stories when it comes to deploying those algorithms to real-world scenarios. One of the reasons is the lack of guarantees when dealing with and avoiding unsafe states, a fundamental requirement in critical control engineering systems. In this paper, we introduce Guided Safe Shooting (GuSS), a model-based RL approach that can learn to control systems with minimal violations of the safety constraints. The model is learned on the data collected during the operation of the system in an iterated batch fashion, and is then used to plan for the best action to perform at each time step. We propose three different safe planners, one based on a simple random shooting strategy and two based on MAP-Elites, a more advanced divergent-search algorithm. Experiments show that these planners help the learning agent avoid unsafe situations while maximally exploring the state space, a necessary aspect when learning an accurate model of the system. Furthermore, compared to model-free approaches, learning a model allows GuSS reducing the number of interactions with the real-system while still reaching high rewards, a fundamental requirement when handling engineering systems.
Authors: Nicolo' Michelusi
Abstract: Implementing Decentralized Gradient Descent (DGD) in wireless systems is challenging due to noise, fading, and limited bandwidth, necessitating topology awareness, transmission scheduling, and the acquisition of channel state information (CSI) to mitigate interference and maintain reliable communications. These operations may result in substantial signaling overhead and scalability challenges in large networks lacking central coordination. This paper introduces a scalable DGD algorithm that eliminates the need for scheduling, topology information, or CSI (both average and instantaneous). At its core is a Non-Coherent Over-The-Air (NCOTA) consensus scheme that exploits a noisy energy superposition property of wireless channels. Nodes encode their local optimization signals into energy levels within an OFDM frame and transmit simultaneously, without coordination. The key insight is that the received energy equals, on average, the sum of the energies of the transmitted signals, scaled by their respective average channel gains, akin to a consensus step. This property enables unbiased consensus estimation, utilizing average channel gains as mixing weights, thereby removing the need for their explicit design or for CSI. Introducing a consensus stepsize mitigates consensus estimation errors due to energy fluctuations around their expected values. For strongly-convex problems, it is shown that the expected squared distance between the local and globally optimum models vanishes at a rate of O(1/sqrt{k}) after k iterations, with suitable decreasing learning and consensus stepsizes. Extensions accommodate a broad class of fading models and frequency-selective channels. Numerical experiments on image classification demonstrate faster convergence in terms of running time compared to state-of-the-art schemes, especially in dense network scenarios.
Authors: \c{C}a\u{g}kan Yapar, Ron Levie, Gitta Kutyniok, Giuseppe Caire
Abstract: In this article, we present a collection of radio map datasets in dense urban setting, which we generated and made publicly available. The datasets include simulated pathloss/received signal strength (RSS) and time of arrival (ToA) radio maps over a large collection of realistic dense urban setting in real city maps. The two main applications of the presented dataset are 1) learning methods that predict the pathloss from input city maps (namely, deep learning-based simulations), and, 2) wireless localization. The fact that the RSS and ToA maps are computed by the same simulations over the same city maps allows for a fair comparison of the RSS and ToA-based localization methods.
Authors: Daniel N. Nissani (Nissensohn)
Abstract: In response to an object presentation, supervised learning schemes generally respond with a parsimonious label. Upon a similar presentation we humans respond again with a label, but are flooded, in addition, by a myriad of associations. A significant portion of these consist of the presented object attributes. Contrastive learning is a semi-supervised learning scheme based on the application of identity preserving transformations on the object input representations. It is conjectured in this work that these same applied transformations preserve, in addition to the identity of the presented object, also the identity of its semantically meaningful attributes. The corollary of this is that the output representations of such a contrastive learning scheme contain valuable information not only for the classification of the presented object, but also for the presence or absence decision of any attribute of interest. Simulation results which demonstrate this idea and the feasibility of this conjecture are presented.
Authors: Kajsa M{\o}llersen, Einar Holsb{\o}
Abstract: Machine learning methods are commonly evaluated and compared by their performance on data sets from public repositories. This allows for multiple methods, oftentimes several thousands, to be evaluated under identical conditions and across time. The highest ranked performance on a problem is referred to as state-of-the-art (SOTA) performance, and is used, among other things, as a reference point for publication of new methods. Using the highest-ranked performance as an estimate for SOTA is a biased estimator, giving overly optimistic results. The mechanisms at play are those of multiplicity, a topic that is well-studied in the context of multiple comparisons and multiple testing, but has, as far as the authors are aware of, been nearly absent from the discussion regarding SOTA estimates. The optimistic state-of-the-art estimate is used as a standard for evaluating new methods, and methods with substantial inferior results are easily overlooked. In this article, we provide a probability distribution for the case of multiple classifiers so that known analyses methods can be engaged and a better SOTA estimate can be provided. We demonstrate the impact of multiplicity through a simulated example with independent classifiers. We show how classifier dependency impacts the variance, but also that the impact is limited when the accuracy is high. Finally, we discuss three real-world examples; Kaggle competitions that demonstrate various aspects.
Authors: Florentin Bieder, Julia Wolleb, Alicia Durrer, Robin Sandk\"uhler, Philippe C. Cattin
Abstract: Denoising diffusion models have recently achieved state-of-the-art performance in many image-generation tasks. They do, however, require a large amount of computational resources. This limits their application to medical tasks, where we often deal with large 3D volumes, like high-resolution three-dimensional data. In this work, we present a number of different ways to reduce the resource consumption for 3D diffusion models and apply them to a dataset of 3D images. The main contribution of this paper is the memory-efficient patch-based diffusion model \textit{PatchDDM}, which can be applied to the total volume during inference while the training is performed only on patches. While the proposed diffusion model can be applied to any image generation tasks, we evaluate the method on the tumor segmentation task of the BraTS2020 dataset and demonstrate that we can generate meaningful three-dimensional segmentations.
Authors: Jiarui Gan, Rupak Majumdar, Debmalya Mandal, Goran Radanovic
Abstract: We introduce a stochastic principal-agent model. A principal and an agent interact in a stochastic environment, each privy to observations about the state not available to the other. The principal has the power of commitment, both to elicit information from the agent and to provide signals about her own information. The players communicate with each other and then select actions independently. Each of them receives a payoff based on the state and their joint action, and the environment transitions to a new state. The interaction continues over a finite time horizon. Both players are far-sighted, aiming to maximize their total payoffs over the time horizon. The model encompasses as special cases extensive-form games (EFGs) and stochastic games of incomplete information, partially observable Markov decision processes (POMDPs), as well as other forms of sequential principal-agent interactions, including Bayesian persuasion and automated mechanism design problems. We consider both the computation and learning of the principal's optimal policy. Since the general problem, which subsumes POMDPs, is intractable, we explore algorithmic solutions under hindsight observability, where the state and the interaction history are revealed at the end of each step. Though the problem becomes more amenable under this condition, the number of possible histories remains exponential in the length of the time horizon, making approaches for EFG-based models infeasible. We present an efficient algorithm based on the inducible value sets. The algorithm computes an $\epsilon$-approximate optimal policy in time polynomial in $1/\epsilon$. Additionally, we show an efficient learning algorithm for an episodic reinforcement learning setting where the transition probabilities are unknown. The algorithm guarantees sublinear regret $\tilde{O}(T^{2/3})$ for both players over $T$ episodes.
Authors: Yang Cui, Han Zhu, Yijian Wang, Lu Zhang, Yang Li
Abstract: In deep learning, the load data with non-temporal factors are difficult to process by sequence models. This problem results in insufficient precision of the prediction. Therefore, a short-term load forecasting method based on convolutional neural network (CNN), self-attention encoder-decoder network (SAEDN) and residual-refinement (Res) is proposed. In this method, feature extraction module is composed of a two-dimensional convolutional neural network, which is used to mine the local correlation between data and obtain high-dimensional data features. The initial load fore-casting module consists of a self-attention encoder-decoder network and a feedforward neural network (FFN). The module utilizes self-attention mechanisms to encode high-dimensional features. This operation can obtain the global correlation between data. Therefore, the model is able to retain important information based on the coupling relationship between the data in data mixed with non-time series factors. Then, self-attention decoding is per-formed and the feedforward neural network is used to regression initial load. This paper introduces the residual mechanism to build the load optimization module. The module generates residual load values to optimize the initial load. The simulation results show that the proposed load forecasting method has advantages in terms of prediction accuracy and prediction stability.
Authors: Hongkuan Zhou, Wei Cao, Aifen Sui, Zhenshan Bing
Abstract: End-to-end autonomous driving, where the entire driving pipeline is replaced with a single neural network, has recently gained research attention because of its simpler structure and faster inference time. Despite this appealing approach largely reducing the complexity in the driving pipeline, it also leads to safety issues because the trained policy is not always compliant with the traffic rules. In this paper, we proposed P-CSG, a penalty-based imitation learning approach with contrastive-based cross semantics generation sensor fusion technologies to increase the overall performance of end-to-end autonomous driving. In this method, we introduce three penalties - red light, stop sign, and curvature speed penalty to make the agent more sensitive to traffic rules. The proposed cross semantics generation helps to align the shared information of different input modalities. We assessed our model's performance using the CARLA Leaderboard - Town 05 Long Benchmark and Longest6 Benchmark, achieving 8.5% and 2.0% driving score improvement compared to the baselines. Furthermore, we conducted robustness evaluations against adversarial attacks like FGSM and Dot attacks, revealing a substantial increase in robustness compared to other baseline models. More detailed information can be found at https://hk-zh.github.io/p-csg-plus.
Authors: Alexandros Hollender, Manolis Zampetakis
Abstract: Finding approximate stationary points, i.e., points where the gradient is approximately zero, of non-convex but smooth objective functions $f$ over unrestricted $d$-dimensional domains is one of the most fundamental problems in classical non-convex optimization. Nevertheless, the computational and query complexity of this problem are still not well understood when the dimension $d$ of the problem is independent of the approximation error. In this paper, we show the following computational and query complexity results: 1. The problem of finding approximate stationary points over unrestricted domains is PLS-complete. 2. For $d = 2$, we provide a zero-order algorithm for finding $\varepsilon$-approximate stationary points that requires at most $O(1/\varepsilon)$ value queries to the objective function. 3. We show that any algorithm needs at least $\Omega(1/\varepsilon)$ queries to the objective function and/or its gradient to find $\varepsilon$-approximate stationary points when $d=2$. Combined with the above, this characterizes the query complexity of this problem to be $\Theta(1/\varepsilon)$. 4. For $d = 2$, we provide a zero-order algorithm for finding $\varepsilon$-KKT points in constrained optimization problems that requires at most $O(1/\sqrt{\varepsilon})$ value queries to the objective function. This closes the gap between the works of Bubeck and Mikulincer [2020] and Vavasis [1993] and characterizes the query complexity of this problem to be $\Theta(1/\sqrt{\varepsilon})$. 5. Combining our results with the recent result of Fearnley et al. [2022], we show that finding approximate KKT points in constrained optimization is reducible to finding approximate stationary points in unconstrained optimization but the converse is impossible.
Authors: Edgar Dobriban, Mengxin Yu
Abstract: Quantifying the uncertainty of predictions is a core problem in modern statistics. Methods for predictive inference have been developed under a variety of assumptions, often -- for instance, in standard conformal prediction -- relying on the invariance of the distribution of the data under special groups of transformations such as permutation groups. Moreover, many existing methods for predictive inference aim to predict unobserved outcomes in sequences of feature-outcome observations. Meanwhile, there is interest in predictive inference under more general observation models (e.g., for partially observed features) and for data satisfying more general distributional symmetries (e.g., rotationally invariant or coordinate-independent observations in physics). Here we propose SymmPI, a methodology for predictive inference when data distributions have general group symmetries in arbitrary observation models. Our methods leverage the novel notion of distributional equivariant transformations, which process the data while preserving their distributional invariances. We show that SymmPI has valid coverage under distributional invariance and characterize its performance under distribution shift, recovering recent results as special cases. We apply SymmPI to predict unobserved values associated to vertices in a network, where the distribution is unchanged under relabelings that keep the network structure unchanged. In several simulations in a two-layer hierarchical model, and in an empirical data analysis example, SymmPI performs favorably compared to existing methods.
Authors: Zhizhang Yuan, Fanqi Shen, Meng Li, Yuguo Yu, Chenhao Tan, Yang Yang
Abstract: Neural electrical activity is fundamental to brain function, underlying a range of cognitive and behavioral processes, including movement, perception, decision-making, and consciousness. Abnormal patterns of neural signaling often indicate the presence of underlying brain diseases. The variability among individuals, the diverse array of clinical symptoms from various brain disorders, and the limited availability of diagnostic classifications, have posed significant barriers to formulating reliable model of neural signals for diverse application contexts. Here, we present BrainWave, the first foundation model for both invasive and non-invasive neural recordings, pretrained on more than 40,000 hours of electrical brain recordings (13.79 TB of data) from approximately 16,000 individuals. Our analysis show that BrainWave outperforms all other competing models and consistently achieves state-of-the-art performance in the diagnosis and identification of neurological disorders. We also demonstrate robust capabilities of BrainWave in enabling zero-shot transfer learning across varying recording conditions and brain diseases, as well as few-shot classification without fine-tuning, suggesting that BrainWave learns highly generalizable representations of neural signals. We hence believe that open-sourcing BrainWave will facilitate a wide range of clinical applications in medicine, paving the way for AI-driven approaches to investigate brain disorders and advance neuroscience research.
Authors: Jiajun Qian, Liang Xu, Xiaoqiang Ren, Xiaofan Wang
Abstract: Deep neural networks (DNN) are increasingly being used to learn controllers due to their excellent approximation capabilities. However, their black-box nature poses significant challenges to closed-loop stability guarantees and performance analysis. In this paper, we introduce a structured DNN-based controller for the trajectory tracking control of Lagrangian systems using backing techniques. By properly designing neural network structures, the proposed controller can ensure closed-loop stability for any compatible neural network parameters. In addition, improved control performance can be achieved by further optimizing neural network parameters. Besides, we provide explicit upper bounds on tracking errors in terms of controller parameters, which allows us to achieve the desired tracking performance by properly selecting the controller parameters. Furthermore, when system models are unknown, we propose an improved Lagrangian neural network (LNN) structure to learn the system dynamics and design the controller. We show that in the presence of model approximation errors and external disturbances, the closed-loop stability and tracking control performance can still be guaranteed. The effectiveness of the proposed approach is demonstrated through simulations.
Authors: Jingzhi Gong, Tao Chen
Abstract: Performance is arguably the most crucial attribute that reflects the quality of a configurable software system. However, given the increasing scale and complexity of modern software, modeling and predicting how various configurations can impact performance becomes one of the major challenges in software maintenance. As such, performance is often modeled without having a thorough knowledge of the software system, but relying mainly on data, which fits precisely with the purpose of deep learning. In this paper, we conduct a comprehensive review exclusively on the topic of deep learning for performance learning of configurable software, covering 1,206 searched papers spanning six indexing services, based on which 99 primary papers were extracted and analyzed. Our results outline key statistics, taxonomy, strengths, weaknesses, and optimal usage scenarios for techniques related to the preparation of configuration data, the construction of deep learning performance models, the evaluation of these models, and their utilization in various software configuration-related tasks.We also identify the good practices and potentially problematic phenomena from the studies surveyed, together with a comprehensive summary of actionable suggestions and insights into future opportunities within the field. To promote open science, all the raw results of this survey can be accessed at our repository: https://github.com/ideas-labo/DCPL-SLR.
Authors: Yuepeng Hu, Zhengyuan Jiang, Moyang Guo, Neil Gong
Abstract: Watermark has been widely deployed by industry to detect AI-generated images. The robustness of such watermark-based detector against evasion attacks in the white-box and black-box settings is well understood in the literature. However, the robustness in the no-box setting is much less understood. In this work, we propose a new transfer evasion attack to image watermark in the no-box setting. Our transfer attack adds a perturbation to a watermarked image to evade multiple surrogate watermarking models trained by the attacker itself, and the perturbed watermarked image also evades the target watermarking model. Our major contribution is to show that, both theoretically and empirically, watermark-based AI-generated image detector is not robust to evasion attacks even if the attacker does not have access to the watermarking model nor the detection API.
Authors: Rachmad Vidya Wicaksana Putra, Alberto Marchisio, Fakhreddine Zayer, Jorge Dias, Muhammad Shafique
Abstract: Robotic technologies have been an indispensable part for improving human productivity since they have been helping humans in completing diverse, complex, and intensive tasks in a fast yet accurate and efficient way. Therefore, robotic technologies have been deployed in a wide range of applications, ranging from personal to industrial use-cases. However, current robotic technologies and their computing paradigm still lack embodied intelligence to efficiently interact with operational environments, respond with correct/expected actions, and adapt to changes in the environments. Toward this, recent advances in neuromorphic computing with Spiking Neural Networks (SNN) have demonstrated the potential to enable the embodied intelligence for robotics through bio-plausible computing paradigm that mimics how the biological brain works, known as "neuromorphic artificial intelligence (AI)". However, the field of neuromorphic AI-based robotics is still at an early stage, therefore its development and deployment for solving real-world problems expose new challenges in different design aspects, such as accuracy, adaptability, efficiency, reliability, and security. To address these challenges, this paper will discuss how we can enable embodied neuromorphic AI for robotic systems through our perspectives: (P1) Embodied intelligence based on effective learning rule, training mechanism, and adaptability; (P2) Cross-layer optimizations for energy-efficient neuromorphic computing; (P3) Representative and fair benchmarks; (P4) Low-cost reliability and safety enhancements; (P5) Security and privacy for neuromorphic computing; and (P6) A synergistic development for energy-efficient and robust neuromorphic-based robotics. Furthermore, this paper identifies research challenges and opportunities, as well as elaborates our vision for future research development toward embodied neuromorphic AI for robotics.
Authors: Sayan Biswas, Mathieu Even, Anne-Marie Kermarrec, Laurent Massoulie, Rafael Pires, Rishi Sharma, Martijn de Vos
Abstract: Decentralized learning (DL) enables collaborative learning without a server and without training data leaving the users' devices. However, the models shared in DL can still be used to infer training data. Conventional defenses such as differential privacy and secure aggregation fall short in effectively safeguarding user privacy in DL, either sacrificing model utility or efficiency. We introduce Shatter, a novel DL approach in which nodes create virtual nodes (VNs) to disseminate chunks of their full model on their behalf. This enhances privacy by (i) preventing attackers from collecting full models from other nodes, and (ii) hiding the identity of the original node that produced a given model chunk. We theoretically prove the convergence of Shatter and provide a formal analysis demonstrating how Shatter reduces the efficacy of attacks compared to when exchanging full models between nodes. We evaluate the convergence and attack resilience of Shatter with existing DL algorithms, with heterogeneous datasets, and against three standard privacy attacks. Our evaluation shows that Shatter not only renders these privacy attacks infeasible when each node operates 16 VNs but also exhibits a positive impact on model utility compared to standard DL. In summary, Shatter enhances the privacy of DL while maintaining the utility and efficiency of the model.
Authors: Yuichiro Terasaki, Kohei Nakajima
Abstract: A continuous one-dimensional map with period three includes all periods. This raises the following question: Can we obtain any types of periodic orbits solely by learning three data points? In this letter, we report the answer to be yes. Considering a random neural network in its thermodynamic limit, we show that under certain conditions, learning period three can embed attractors with all periods into the network as a bifurcation after learning. The associated universality is explained by a topological conjugacy between the trained network and the classical logistic map.
Authors: Hyungjin Chung, Jeongsol Kim, Geon Yeong Park, Hyelin Nam, Jong Chul Ye
Abstract: Classifier-free guidance (CFG) is a fundamental tool in modern diffusion models for text-guided generation. Although effective, CFG has notable drawbacks. For instance, DDIM with CFG lacks invertibility, complicating image editing; furthermore, high guidance scales, essential for high-quality outputs, frequently result in issues like mode collapse. Contrary to the widespread belief that these are inherent limitations of diffusion models, this paper reveals that the problems actually stem from the off-manifold phenomenon associated with CFG, rather than the diffusion models themselves. More specifically, inspired by the recent advancements of diffusion model-based inverse problem solvers (DIS), we reformulate text-guidance as an inverse problem with a text-conditioned score matching loss and develop CFG++, a novel approach that tackles the off-manifold challenges inherent in traditional CFG. CFG++ features a surprisingly simple fix to CFG, yet it offers significant improvements, including better sample quality for text-to-image generation, invertibility, smaller guidance scales, reduced mode collapse, etc. Furthermore, CFG++ enables seamless interpolation between unconditional and conditional sampling at lower guidance scales, consistently outperforming traditional CFG at all scales. Moreover, CFG++ can be easily integrated into high-order diffusion solvers and naturally extends to distilled diffusion models. Experimental results confirm that our method significantly enhances performance in text-to-image generation, DDIM inversion, editing, and solving inverse problems, suggesting a wide-ranging impact and potential applications in various fields that utilize text guidance. Project Page: https://cfgpp-diffusion.github.io/.
Authors: Amanda Olmin, Fredrik Lindsten
Abstract: Epoch-wise double descent is the phenomenon where generalisation performance improves beyond the point of overfitting, resulting in a generalisation curve exhibiting two descents under the course of learning. Understanding the mechanisms driving this behaviour is crucial not only for understanding the generalisation behaviour of machine learning models in general, but also for employing conventional selection methods, such as the use of early stopping to mitigate overfitting. While we ultimately want to draw conclusions of more complex models, such as deep neural networks, a majority of theoretical results regarding the underlying cause of epoch-wise double descent are based on simple models, such as standard linear regression. In this paper, to take a step towards more complex models in theoretical analysis, we study epoch-wise double descent in two-layer linear neural networks. First, we derive a gradient flow for the linear two-layer model, that bridges the learning dynamics of the standard linear regression model, and the linear two-layer diagonal network with quadratic weights. Second, we identify additional factors of epoch-wise double descent emerging with the extra model layer, by deriving necessary conditions for the generalisation error to follow a double descent pattern. While epoch-wise double descent in linear regression has been attributed to differences in input variance, in the two-layer model, also the singular values of the input-output covariance matrix play an important role. This opens up for further questions regarding unidentified factors of epoch-wise double descent for truly deep models.
Authors: Vlad Sobal, Mark Ibrahim, Randall Balestriero, Vivien Cabannes, Diane Bouchacourt, Pietro Astolfi, Kyunghyun Cho, Yann LeCun
Abstract: Learning good representations involves capturing the diverse ways in which data samples relate. Contrastive loss - an objective matching related samples - underlies methods from self-supervised to multimodal learning. Contrastive losses, however, can be viewed more broadly as modifying a similarity graph to indicate how samples should relate in the embedding space. This view reveals a shortcoming in contrastive learning: the similarity graph is binary, as only one sample is the related positive sample. Crucially, similarities \textit{across} samples are ignored. Based on this observation, we revise the standard contrastive loss to explicitly encode how a sample relates to others. We experiment with this new objective, called $\mathbb{X}$-Sample Contrastive, to train vision models based on similarities in class or text caption descriptions. Our study spans three scales: ImageNet-1k with 1 million, CC3M with 3 million, and CC12M with 12 million samples. The representations learned via our objective outperform both contrastive self-supervised and vision-language models trained on the same data across a range of tasks. When training on CC12M, we outperform CLIP by $0.6\%$ on both ImageNet and ImageNet Real. Our objective appears to work particularly well in lower-data regimes, with gains over CLIP of $16.8\%$ on ImageNet and $18.1\%$ on ImageNet Real when training with CC3M. Finally, our objective seems to encourage the model to learn representations that separate objects from their attributes and backgrounds, with gains of $3.3$-$5.6$\% over CLIP on ImageNet9. We hope the proposed solution takes a small step towards developing richer learning objectives for understanding sample relations in foundation models.
Authors: Sho Ozaki, Shizuo Kaji, Toshikazu Imae, Kanabu Nawa, Hideomi Yamashita, Keiichi Nakagawa
Abstract: Image-generative artificial intelligence (AI) has garnered significant attention in recent years. In particular, the diffusion model, a core component of generative AI, produces high-quality images with rich diversity. In this study, we proposed a novel computed tomography (CT) reconstruction method by combining the denoising diffusion probabilistic model with iterative CT reconstruction. In sharp contrast to previous studies, we optimized the fidelity loss of CT reconstruction with respect to the latent variable of the diffusion model, instead of the image and model parameters. To suppress the changes in anatomical structures produced by the diffusion model, we shallowed the diffusion and reverse processes and fixed a set of added noises in the reverse process to make it deterministic during the inference. We demonstrated the effectiveness of the proposed method through the sparse-projection CT reconstruction of 1/10 projection data. Despite the simplicity of the implementation, the proposed method has the potential to reconstruct high-quality images while preserving the patient's anatomical structures and was found to outperform existing methods, including iterative reconstruction, iterative reconstruction with total variation, and the diffusion model alone in terms of quantitative indices such as the structural similarity index and peak signal-to-noise ratio. We also explored further sparse-projection CT reconstruction using 1/20 projection data with the same trained diffusion model. As the number of iterations increased, the image quality improved comparable to that of 1/10 sparse-projection CT reconstruction. In principle, this method can be widely applied not only to CT but also to other imaging modalities.
Authors: Kejin Wu, Dimitris N. Politis
Abstract: In this paper, we provide a novel Model-free approach based on Deep Neural Network (DNN) to accomplish point prediction and prediction interval under a general regression setting. Usually, people rely on parametric or non-parametric models to bridge dependent and independent variables (Y and X). However, this classical method relies heavily on the correct model specification. Even for the non-parametric approach, some additive form is often assumed. A newly proposed Model-free prediction principle sheds light on a prediction procedure without any model assumption. Previous work regarding this principle has shown better performance than other standard alternatives. Recently, DNN, one of the machine learning methods, has received increasing attention due to its great performance in practice. Guided by the Model-free prediction idea, we attempt to apply a fully connected forward DNN to map X and some appropriate reference random variable Z to Y. The targeted DNN is trained by minimizing a specially designed loss function so that the randomness of Y conditional on X is outsourced to Z through the trained DNN. Our method is more stable and accurate compared to other DNN-based counterparts, especially for optimal point predictions. With a specific prediction procedure, our prediction interval can capture the estimation variability so that it can render a better coverage rate for finite sample cases. The superior performance of our method is verified by simulation and empirical studies.
Authors: Junho Moon, Haejun Chung, Ikbeom Jang
Abstract: Facial wrinkle detection plays a crucial role in cosmetic dermatology. Precise manual segmentation of facial wrinkles is challenging and time-consuming, with inherent subjectivity leading to inconsistent results among graders. To address this issue, we propose two solutions. First, we build and release the first public facial wrinkle dataset, 'FFHQ-Wrinkle', an extension of the NVIDIA FFHQ dataset. It includes 1,000 images with human labels and 50,000 images with automatically generated weak labels. This dataset could serve as a foundation for the research community to develop advanced wrinkle detection algorithms. Second, we introduce a simple training strategy utilizing texture maps, applicable to various segmentation models, to detect wrinkles across the face. Our two-stage training strategy first pretrain models on a large dataset with weak labels (N=50k), or masked texture maps generated through computer vision techniques, without human intervention. We then finetune the models using human-labeled data (N=1k), which consists of manually labeled wrinkle masks. The network takes as input a combination of RGB and masked texture map of the image, comprising four channels, in finetuning. We effectively combine labels from multiple annotators to minimize subjectivity in manual labeling. Our strategies demonstrate improved segmentation performance in facial wrinkle segmentation both quantitatively and visually compared to existing pretraining methods. The dataset is available at https://github.com/labhai/ffhq-wrinkle-dataset.
Authors: Yikang Shen, Matthew Stallone, Mayank Mishra, Gaoyuan Zhang, Shawn Tan, Aditya Prasad, Adriana Meza Soria, David D. Cox, Rameswar Panda
Abstract: Finding the optimal learning rate for language model pretraining is a challenging task. This is not only because there is a complicated correlation between learning rate, batch size, number of training tokens, model size, and other hyperparameters but also because it is prohibitively expensive to perform a hyperparameter search for large language models with Billions or Trillions of parameters. Recent studies propose using small proxy models and small corpus to perform hyperparameter searches and transposing the optimal parameters to large models and large corpus. While the zero-shot transferability is theoretically and empirically proven for model size related hyperparameters, like depth and width, the zero-shot transfer from small corpus to large corpus is underexplored. In this paper, we study the correlation between optimal learning rate, batch size, and number of training tokens for the recently proposed WSD scheduler. After thousands of small experiments, we found a power-law relationship between variables and demonstrated its transferability across model sizes. Based on the observation, we propose a new learning rate scheduler, Power scheduler, that is agnostic about the number of training tokens and batch size. The experiment shows that combining the Power scheduler with Maximum Update Parameterization (muP) can consistently achieve impressive performance with one set of hyperparameters regardless of the number of training tokens, batch size, model size, and even model architecture. Our 3B dense and MoE models trained with the Power scheduler achieve comparable performance as state-of-the-art small language models. We open-source these pretrained models at https://ibm.biz/BdKhLa.
URLs: https://ibm.biz/BdKhLa.
Authors: Yoshitaka Inoue, Tianci Song, Tianfan Fu
Abstract: Drug repurposing offers a promising avenue for accelerating drug development by identifying new therapeutic potentials of existing drugs. In this paper, we propose a multi-agent framework to enhance the drug repurposing process using state-of-the-art machine learning techniques and knowledge integration. Our framework comprises several specialized agents: an AI Agent trains robust drug-target interaction (DTI) models; a Knowledge Graph Agent utilizes the drug-gene interaction database (DGIdb), DrugBank, Comparative Toxicogenomics Database (CTD), and Search Tool for Interactions of Chemicals (STITCH) to systematically extract DTIs; and a Search Agent interacts with biomedical literature to annotate and verify computational predictions. By integrating outputs from these agents, our system effectively harnesses diverse data sources, including external databases, to propose viable repurposing candidates. Preliminary results demonstrate the potential of our approach in not only predicting drug-disease interactions but also in reducing the time and cost associated with traditional drug discovery methods. This paper highlights the scalability of multi-agent systems in biomedical research and their role in driving innovation in drug repurposing. Our approach not only outperforms existing methods in predicting drug repurposing potential but also provides interpretable results, paving the way for more efficient and cost-effective drug discovery processes.
Authors: Yidong Zhou, Jintai Chen, Jinglei Cheng, Gopal Karemore, Marinka Zitnik, Frederic T. Chong, Junyu Liu, Tianfan Fu, Zhiding Liang
Abstract: Drug discovery and development is a highly complex and costly endeavor, typically requiring over a decade and substantial financial investment to bring a new drug to market. Traditional computer-aided drug design (CADD) has made significant progress in accelerating this process, but the development of quantum computing offers potential due to its unique capabilities. This paper discusses the integration of quantum computing into drug discovery and development, focusing on how quantum technologies might accelerate and enhance various stages of the drug development cycle. Specifically, we explore the application of quantum computing in addressing challenges related to drug discovery, such as molecular simulation and the prediction of drug-target interactions, as well as the optimization of clinical trial outcomes. By leveraging the inherent capabilities of quantum computing, we might be able to reduce the time and cost associated with bringing new drugs to market, ultimately benefiting public health.
Authors: Anton Andreychuk, Konstantin Yakovlev, Aleksandr Panov, Alexey Skrynnik
Abstract: Multi-agent pathfinding (MAPF) is a challenging computational problem that typically requires to find collision-free paths for multiple agents in a shared environment. Solving MAPF optimally is NP-hard, yet efficient solutions are critical for numerous applications, including automated warehouses and transportation systems. Recently, learning-based approaches to MAPF have gained attention, particularly those leveraging deep reinforcement learning. Following current trends in machine learning, we have created a foundation model for the MAPF problems called MAPF-GPT. Using imitation learning, we have trained a policy on a set of pre-collected sub-optimal expert trajectories that can generate actions in conditions of partial observability without additional heuristics, reward functions, or communication with other agents. The resulting MAPF-GPT model demonstrates zero-shot learning abilities when solving the MAPF problem instances that were not present in the training dataset. We show that MAPF-GPT notably outperforms the current best-performing learnable-MAPF solvers on a diverse range of problem instances and is efficient in terms of computation (in the inference mode).
Authors: M. Badouch, M. Boutaounte
Abstract: In e-commerce, web mining for page recommendations is widely used but often fails to meet user needs. To address this, we propose a novel solution combining semantic web mining with BP neural networks. We process user search logs to extract five key features: content priority, time spent, user feedback, recommendation semantics, and input deviation. These features are then fed into a BP neural network to classify and prioritize web pages. The prioritized pages are recommended to users. Using book sales pages for testing, our results demonstrate that this solution can quickly and accurately identify the pages users need. Our approach ensures that recommendations are more relevant and tailored to individual preferences, enhancing the online shopping experience. By leveraging advanced semantic analysis and neural network techniques, we bridge the gap between user expectations and actual recommendations. This innovative method not only improves accuracy but also speeds up the recommendation process, making it a valuable tool for e-commerce platforms aiming to boost user satisfaction and engagement. Additionally, our system ability to handle large datasets and provide real-time recommendations makes it a scalable and efficient solution for modern e-commerce challenges.
Authors: Lele Chang, Peilin Liu, Qinghai Guo, Fei Wen
Abstract: Recently, self-supervised learning (SSL) has been extensively studied. Theoretically, mutual information maximization (MIM) is an optimal criterion for SSL, with a strong theoretical foundation in information theory. However, it is difficult to directly apply MIM in SSL since the data distribution is not analytically available in applications. In practice, many existing methods can be viewed as approximate implementations of the MIM criterion. This work shows that, based on the invariance property of MI, explicit MI maximization can be applied to SSL under a generic distribution assumption, i.e., a relaxed condition of the data distribution. We further illustrate this by analyzing the generalized Gaussian distribution. Based on this result, we derive a loss function based on the MIM criterion using only second-order statistics. We implement the new loss for SSL and demonstrate its effectiveness via extensive experiments.
Authors: Marco Fiandri, Alberto Maria Metelli, Francesco Trov\`o
Abstract: $\textit{Restless Bandits}$ describe sequential decision-making problems in which the rewards evolve with time independently from the actions taken by the policy-maker. It has been shown that classical Bandit algorithms fail when the underlying environment is changing, making clear that in order to tackle more challenging scenarios specifically crafted algorithms are needed. In this paper, extending and correcting the work by \cite{trovo2020sliding}, we analyze two Thompson-Sampling inspired algorithms, namely $\texttt{BETA-SWTS}$ and $\texttt{$\gamma$-SWGTS}$, introduced to face the additional complexity given by the non-stationary nature of the settings; in particular we derive a general formulation for the regret in $\textit{any}$ arbitrary restless environment for both Bernoulli and Subgaussian rewards, and, through the introduction of new quantities, we delve in what contribution lays the deeper foundations of the error made by the algorithms. Finally, we infer from the general formulation the regret for two of the most common non-stationary settings: the $\textit{Abruptly Changing}$ and the $\textit{Smoothly Changing}$ environments.
Authors: Davood Karimi, Camilo Calixto, Haykel Snoussi, Maria Camila Cortes-Albornoz, Clemente Velasco-Annis, Caitlin Rollins, Camilo Jaimes, Ali Gholipour, Simon K. Warfield
Abstract: Diffusion-weighted MRI is increasingly used to study the normal and abnormal development of fetal brain in-utero. Recent studies have shown that dMRI can offer invaluable insights into the neurodevelopmental processes in the fetal stage. However, because of the low data quality and rapid brain development, reliable analysis of fetal dMRI data requires dedicated computational methods that are currently unavailable. The lack of automated methods for fast, accurate, and reproducible data analysis has seriously limited our ability to tap the potential of fetal brain dMRI for medical and scientific applications. In this work, we developed and validated a unified computational framework to (1) segment the brain tissue into white matter, cortical/subcortical gray matter, and cerebrospinal fluid, (2) segment 31 distinct white matter tracts, and (3) parcellate the brain's cortex and delineate the deep gray nuclei and white matter structures into 96 anatomically meaningful regions. We utilized a set of manual, semi-automatic, and automatic approaches to annotate 97 fetal brains. Using these labels, we developed and validated a multi-task deep learning method to perform the three computations. Our evaluations show that the new method can accurately carry out all three tasks, achieving a mean Dice similarity coefficient of 0.865 on tissue segmentation, 0.825 on white matter tract segmentation, and 0.819 on parcellation. The proposed method can greatly advance the field of fetal neuroimaging as it can lead to substantial improvements in fetal brain tractography, tract-specific analysis, and structural connectivity assessment.