Benchmarks are essential for consistent evaluation and reproducibility. The integration of Artificial Intelligence into Software Engineering (AI4SE) has given rise to numerous benchmarks for tasks such as code generation and bug fixing. However, this surge presents challenges: (1) scattered benchmark knowledge across tasks, (2) difficulty in selecting relevant benchmarks, (3) the absence of a uniform standard for benchmark development, and (4) limitations of existing benchmarks. In this paper, we review 173 studies and identify 204 AI4SE benchmarks. We classify these benchmarks, analyze their limitations, and expose gaps in practices. Based on our review, we created BenchScout, a semantic search tool to find relevant benchmarks, using automated clustering of the contexts from associated studies. We conducted a user study with 22 participants to evaluate BenchScout's usability, effectiveness, and intuitiveness which resulted in average scores of 4.5, 4.0, and 4.1 out of 5. To advance benchmarking standards, we propose BenchFrame, a unified method to enhance benchmark quality. As a case study, we applied BenchFrame to the HumanEval benchmark and addressed its main limitations. This led to HumanEvalNext, featuring (1) corrected errors, (2) improved language conversion, (3) expanded test coverage, and (4) increased difficulty. We then evaluated ten state-of-the-art code language models on HumanEval, HumanEvalPlus, and HumanEvalNext. On HumanEvalNext, models showed a pass@1 score reduction of 31.22% and 19.94% compared to HumanEval and HumanEvalPlus, respectively.

Highly accurate force fields are a mandatory requirement to generate predictive simulations. In this regard, Machine Learning Force Fields (MLFFs) have emerged as a revolutionary approach in computational chemistry and materials science, combining the accuracy of quantum mechanical methods with computational efficiency orders of magnitude superior to ab-initio methods. This chapter provides an introduction of the fundamentals of learning and how it is applied to construct MLFFs, detailing key methodologies such as neural network potentials and kernel-based models. Emphasis is placed on the construction of SchNet model, as one of the most elemental neural network-based force fields that are nowadays the basis of modern architectures. Additionally, the GDML framework is described in detail as an example of how the elegant formulation of kernel methods can be used to construct mathematically robust and physics-inspired MLFFs. The ongoing advancements in MLFF development continue to expand their applicability, enabling precise simulations of large and complex systems that were previously beyond reach. This chapter concludes by highlighting the transformative impact of MLFFs on scientific research, underscoring their role in driving future discoveries in the fields of chemistry, physics, and materials science.

Learning from demonstration (LfD) is an effective method to teach robots to move and manipulate objects in a human-like manner. This is especially true when dealing with complex robotic systems, such as those with dual arms employed for their improved payload capacity and manipulability. However, a key challenge is in expanding the robotic movements beyond the learned scenarios to adapt to minor and major variations from the specific demonstrations. In this work, we propose a learning and novel generalization approach that adapts the learned Gaussian Mixture Model (GMM)-parameterized policy derived from human demonstrations. Our method requires only a small number of human demonstrations and eliminates the need for a robotic system during the demonstration phase, which can significantly reduce both cost and time. The generalization process takes place directly in the parameter space, leveraging the lower-dimensional representation of GMM parameters. With only three parameters per Gaussian component, this process is computationally efficient and yields immediate results upon request. We validate our approach through real-world experiments involving a dual-arm robotic manipulation of boxes. Starting with just five demonstrations for a single task, our approach successfully generalizes to new unseen scenarios, including new target locations, orientations, and box sizes. These results highlight the practical applicability and scalability of our method for complex manipulations.

Quantum kernels (QK) are widely used in quantum machine learning applications; yet, their potential to surpass classical machine learning methods on classical datasets remains uncertain. This limitation can be attributed to the exponential concentration phenomenon, which can impair both trainability and generalization. A common strategy to alleviate this is bandwidth tuning, which involves rescaling data points in the quantum model to improve generalization. In this work, we numerically demonstrate that optimal bandwidth tuning results in QKs that closely resemble radial basis function (RBF) kernels, leading to a lack of quantum advantage over classical methods. Moreover, we reveal that the size of optimal bandwidth tuning parameters further simplifies QKs, causing them to behave like polynomial kernels, corresponding to a low-order Taylor approximation of a RBF kernel. We thoroughly investigate this for fidelity quantum kernels and projected quantum kernels using various data encoding circuits across several classification datasets. We provide numerical evidence and derive a simple analytical model that elucidates how bandwidth tuning influences key quantities in classification tasks. Overall, our findings shed light on the mechanisms that render QK methods classically simulatable.

Concept Activation Vectors (CAVs) are widely used to model human-understandable concepts as directions within the latent space of neural networks. They are trained by identifying directions from the activations of concept samples to those of non-concept samples. However, this method often produces similar, non-orthogonal directions for correlated concepts, such as "beard" and "necktie" within the CelebA dataset, which frequently co-occur in images of men. This entanglement complicates the interpretation of concepts in isolation and can lead to undesired effects in CAV applications, such as activation steering. To address this issue, we introduce a post-hoc concept disentanglement method that employs a non-orthogonality loss, facilitating the identification of orthogonal concept directions while preserving directional correctness. We evaluate our approach with real-world and controlled correlated concepts in CelebA and a synthetic FunnyBirds dataset with VGG16 and ResNet18 architectures. We further demonstrate the superiority of orthogonalized concept representations in activation steering tasks, allowing (1) the insertion of isolated concepts into input images through generative models and (2) the removal of concepts for effective shortcut suppression with reduced impact on correlated concepts in comparison to baseline CAVs.

The distributed denial-of-service (DDoS) attack stands out as a highly formidable cyber threat, representing an advanced form of the denial-of-service (DoS) attack. A DDoS attack involves multiple computers working together to overwhelm a system, making it unavailable. On the other hand, a DoS attack is a one-on-one attempt to make a system or website inaccessible. Thus, it is crucial to construct an effective model for identifying various DDoS incidents. Although extensive research has focused on binary detection models for DDoS identification, they face challenges to adapt evolving threats, necessitating frequent updates. Whereas multiclass detection models offer a comprehensive defense against diverse DDoS attacks, ensuring adaptability in the ever-changing cyber threat landscape. In this paper, we propose a Hybrid Model to strengthen network security by combining the featureextraction abilities of 1D Convolutional Neural Networks (CNNs) with the classification skills of Random Forest (RF) and Multi-layer Perceptron (MLP) classifiers. Using the CIC-DDoS2019 dataset, we perform multiclass classification of various DDoS attacks and conduct a comparative analysis of evaluation metrics for RF, MLP, and our proposed Hybrid Model. After analyzing the results, we draw meaningful conclusions and confirm the superiority of our Hybrid Model by performing thorough cross-validation. Additionally, we integrate our machine learning model with Snort, which provides a robust and adaptive solution for detecting and mitigating various DDoS attacks.

Personalized Federated Learning (PFL) aims to train a personalized model for each client that is tailored to its local data distribution, learning fails to perform well on individual clients due to variations in their local data distributions. Most existing PFL methods focus on personalizing the aggregated global model for each client, neglecting the fundamental aspect of federated learning: the regulation of how client models are aggregated. Additionally, almost all of them overlook the graph structure formed by clients in federated learning. In this paper, we propose a novel method, Personalized Federated Learning with Graph Attention Network (pFedGAT), which captures the latent graph structure between clients and dynamically determines the importance of other clients for each client, enabling fine-grained control over the aggregation process. We evaluate pFedGAT across multiple data distribution scenarios, comparing it with twelve state of the art methods on three datasets: Fashion MNIST, CIFAR-10, and CIFAR-100, and find that it consistently performs well.

This paper introduces Quantum-PEFT that leverages quantum computations for parameter-efficient fine-tuning (PEFT). Unlike other additive PEFT methods, such as low-rank adaptation (LoRA), Quantum-PEFT exploits an underlying full-rank yet surprisingly parameter efficient quantum unitary parameterization. With the use of Pauli parameterization, the number of trainable parameters grows only logarithmically with the ambient dimension, as opposed to linearly as in LoRA-based PEFT methods. Quantum-PEFT achieves vanishingly smaller number of trainable parameters than the lowest-rank LoRA as dimensions grow, enhancing parameter efficiency while maintaining a competitive performance. We apply Quantum-PEFT to several transfer learning benchmarks in language and vision, demonstrating significant advantages in parameter efficiency.

Self-modeling enables robots to build task-agnostic models of their morphology and kinematics based on data that can be automatically collected, with minimal human intervention and prior information, thereby enhancing machine intelligence. Recent research has highlighted the potential of data-driven technology in modeling the morphology and kinematics of robots. However, existing self-modeling methods suffer from either low modeling quality or excessive data acquisition costs. Beyond morphology and kinematics, texture is also a crucial component of robots, which is challenging to model and remains unexplored. In this work, a high-quality, texture-aware, and link-level method is proposed for robot self-modeling. We utilize three-dimensional (3D) Gaussians to represent the static morphology and texture of robots, and cluster the 3D Gaussians to construct neural ellipsoid bones, whose deformations are controlled by the transformation matrices generated by a kinematic neural network. The 3D Gaussians and kinematic neural network are trained using data pairs composed of joint angles, camera parameters and multi-view images without depth information. By feeding the kinematic neural network with joint angles, we can utilize the well-trained model to describe the corresponding morphology, kinematics and texture of robots at the link level, and render robot images from different perspectives with the aid of 3D Gaussian splatting. Furthermore, we demonstrate that the established model can be exploited to perform downstream tasks such as motion planning and inverse kinematics.

A non-invasive brain-computer interface (BCI) enables direct interaction between the user and external devices, typically via electroencephalogram (EEG) signals. However, decoding EEG signals across different headsets remains a significant challenge due to differences in the number and locations of the electrodes. To address this challenge, we propose a spatial distillation based distribution alignment (SDDA) approach for heterogeneous cross-headset transfer in non-invasive BCIs. SDDA uses first spatial distillation to make use of the full set of electrodes, and then input/feature/output space distribution alignments to cope with the significant differences between the source and target domains. To our knowledge, this is the first work to use knowledge distillation in cross-headset transfers. Extensive experiments on six EEG datasets from two BCI paradigms demonstrated that SDDA achieved superior performance in both offline unsupervised domain adaptation and online supervised domain adaptation scenarios, consistently outperforming 10 classical and state-of-the-art transfer learning algorithms.