Training such a parameterized optimization model is an Embedding parameterized optimization problems instance of bi-level optimization (Gould et al., 2016), as layers into machine learning architectures which is generally challenging. Whenever it is possible serves as a powerful inductive bias. Training to propagate gradients through the optimization problem such architectures with stochastic gradient via an informative derivative of the solution mapping, descent requires care, as degenerate derivatives the task is typically approached with standard stochastic of the embedded optimization problem often gradient descent (GD) (Amos & Kolter, 2017a; Agrawal render the gradients uninformative. We propose et al., 2019b). However, when the optimization problem has Lagrangian Proximal Gradient Descent (LPGD) discrete solutions, the derivatives are typically degenerate, a flexible framework for training architectures as small perturbations of the input do not affect the optimal with embedded optimization layers that seamlessly solution. Previous works have proposed several methods integrates into automatic differentiation to overcome this challenge, ranging from differentiable libraries. LPGD efficiently computes meaningful relaxations (Wang et al., 2019; Wilder et al., 2019a; Mandi replacements of the degenerate optimization & Guns, 2020; Djolonga & Krause, 2017) and stochastic layer derivatives by re-running the forward solver smoothing (Berthet et al., 2020; Dalle et al., 2022), over oracle on a perturbed input. LPGD captures proxy losses (Paulus et al., 2021), to finite-difference based various previously proposed methods as special techniques (Vlastelica et al., 2020).

We propose a novel change-point detection method based on online Dynamic Mode Decomposition with control (ODMDwC). Leveraging ODMDwC's ability to find and track linear approximation of a non-linear system while incorporating control effects, the proposed method dynamically adapts to its changing behavior due to aging and seasonality. This approach enables the detection of changes in spatial, temporal, and spectral patterns, providing a robust solution that preserves correspondence between the score and the extent of change in the system dynamics. We formulate a truncated version of ODMDwC and utilize higher-order time-delay embeddings to mitigate noise and extract broad-band features. Our method addresses the challenges faced in industrial settings where safety-critical systems generate non-uniform data streams while requiring timely and accurate change-point detection to protect profit and life. Our results demonstrate that this method yields intuitive and improved detection results compared to the Singular-Value-Decomposition-based method. We validate our approach using synthetic and real-world data, showing its competitiveness to other approaches on complex systems' benchmark datasets. Provided guidelines for hyperparameters selection enhance our method's practical applicability.

The increasing development of large language models (LLMs) in code generation has drawn significant attention among researchers. To enhance LLM-based code generation ability, current efforts are predominantly directed towards collecting high-quality datasets and leveraging diverse training technologies. However, there is a notable lack of comprehensive studies examining the limitations and boundaries of these existing methods. To bridge this gap, we conducted an extensive empirical study evaluating the performance of three leading closed-source LLMs and four popular open-source LLMs on three commonly used benchmarks. Our investigation, which evaluated the length, cyclomatic complexity and API number of the generated code, revealed that these LLMs face challenges in generating successful code for more complex problems, and tend to produce code that is shorter yet more complicated as compared to canonical solutions. Additionally, we developed a taxonomy of bugs for incorrect codes that includes three categories and 12 sub-categories, and analyze the root cause for common bug types. Furthermore, to better understand the performance of LLMs in real-world projects, we manually created a real-world benchmark comprising 140 code generation tasks. Our analysis highlights distinct differences in bug distributions between actual scenarios and existing benchmarks. Finally, we propose a novel training-free iterative method that introduces self-critique, enabling LLMs to critique and correct their generated code based on bug types and compiler feedback. Experimental results demonstrate that our approach can significantly mitigate bugs and increase the passing rate by 29.2% after two iterations, indicating substantial potential for LLMs to handle more complex problems.

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: \textit{When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not?} Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

Recent advances in active materials and fabrication techniques have enabled the production of cyclically self-deployable metamaterials with an expanded functionality space. However, designing metamaterials that possess continuously tunable mechanical properties after self-deployment remains a challenge, notwithstanding its importance. Inspired by push puppets, we introduce an efficient design strategy to create reversibly self-deployable metamaterials with continuously tunable post-deployment stiffness and damping. Our metamaterial comprises contracting actuators threaded through beads with matching conical concavo-convex interfaces in networked chains. The slack network conforms to arbitrary shapes, but when actuated, it self-assembles into a preprogrammed configuration with beads gathered together. Further contraction of the actuators can dynamically tune the assembly's mechanical properties through the beads' particle jamming, while maintaining the overall structure with minimal change. We show that, after deployment, such metamaterials exhibit pronounced tunability in bending-dominated configurations: they can become more than 35 times stiffer and change their damping capability by over 50%. Through systematic analysis, we find that the beads'conical angle can introduce geometric nonlinearity, which has a major effect on the self-deployability and tunability of the metamaterial. Our work provides routes towards reversibly self-deployable, lightweight, and tunable metamaterials, with potential applications in soft robotics, reconfigurable architectures, and space engineering.

Spiking Neural Networks (SNNs) represent the forefront of neuromorphic computing, promising energy-efficient and biologically plausible models for complex tasks. This paper weaves together three groundbreaking studies that revolutionize SNN performance through the introduction of heterogeneity in neuron and synapse dynamics. We explore the transformative impact of Heterogeneous Recurrent Spiking Neural Networks (HRSNNs), supported by rigorous analytical frameworks and novel pruning methods like Lyapunov Noise Pruning (LNP). Our findings reveal how heterogeneity not only enhances classification performance but also reduces spiking activity, leading to more efficient and robust networks. By bridging theoretical insights with practical applications, this comprehensive summary highlights the potential of SNNs to outperform traditional neural networks while maintaining lower computational costs. Join us on a journey through the cutting-edge advancements that pave the way for the future of intelligent, energy-efficient neural computing.

Controlling the evolution of complex physical systems is a fundamental task across science and engineering. Classical techniques suffer from limited applicability or huge computational costs. On the other hand, recent deep learning and reinforcement learning-based approaches often struggle to optimize long-term control sequences under the constraints of system dynamics. In this work, we introduce Diffusion Physical systems Control (DiffPhyCon), a new class of method to address the physical systems control problem. DiffPhyCon excels by simultaneously minimizing both the learned generative energy function and the predefined control objectives across the entire trajectory and control sequence. Thus, it can explore globally and identify near-optimal control sequences. Moreover, we enhance DiffPhyCon with prior reweighting, enabling the discovery of control sequences that significantly deviate from the training distribution. We test our method in 1D Burgers' equation and 2D jellyfish movement control in a fluid environment. Our method outperforms widely applied classical approaches and state-of-the-art deep learning and reinforcement learning methods. Notably, DiffPhyCon unveils an intriguing fast-close-slow-open pattern observed in the jellyfish, aligning with established findings in the field of fluid dynamics.

In this chapter we share our experience in running ten editions of the Green Lab course at the Vrije Universiteit Amsterdam, the Netherlands. The course is given in the Software Engineering and Green IT track of the Computer Science Master program of the VU. The course takes place every year over a 2-month period and teaches Computer Science students the fundamentals of Empirical Software Engineering in the context of energy-efficient software. The peculiarity of the course is its research orientation: at the beginning of the course the instructor presents a catalog of scientifically relevant goals, and each team of students signs up for one of them and works together for 2 months on their own experiment for achieving the goal. Each team goes over the classic steps of an empirical study, starting from a precise formulation of the goal and research questions to context definition, selection of experimental subjects and objects, definition of experimental variables, experiment execution, data analysis, and reporting. Over the years, the course became well-known within the Software Engineering community since it led to several scientific studies that have been published at various scientific conferences and journals. Also, students execute their experiments using \textit{open-source tools}, which are developed and maintained by researchers and other students within the program, thus creating a virtuous community of learners where students exchange ideas, help each other, and learn how to collaboratively contribute to open-source projects in a safe environment.

Remote Sensing Large Multi-Modal Models (RSLMMs) are developing rapidly and showcase significant capabilities in remote sensing imagery (RSI) comprehension. However, due to the limitations of existing datasets, RSLMMs have shortcomings in understanding the rich semantic relations among objects in complex remote sensing scenes. To unlock RSLMMs' complex comprehension ability, we propose a large-scale instruction tuning dataset FIT-RS, containing 1,800,851 instruction samples. FIT-RS covers common interpretation tasks and innovatively introduces several complex comprehension tasks of escalating difficulty, ranging from relation reasoning to image-level scene graph generation. Based on FIT-RS, we build the FIT-RSFG benchmark. Furthermore, we establish a new benchmark to evaluate the fine-grained relation comprehension capabilities of LMMs, named FIT-RSRC. Based on combined instruction data, we propose SkySenseGPT, which achieves outstanding performance on both public datasets and FIT-RSFG, surpassing existing RSLMMs. We hope the FIT-RS dataset can enhance the relation comprehension capability of RSLMMs and provide a large-scale fine-grained data source for the remote sensing community.

We propose excess Gibbs free energy graph neural networks (GE-GNNs) for predicting composition-dependent activity coefficients of binary mixtures. The GE-GNN architecture ensures thermodynamic consistency by predicting the molar excess Gibbs free energy and using thermodynamic relations to obtain activity coefficients. As these are differential, automatic differentiation is applied to learn the activity coefficients in an end-to-end manner. Since the architecture is based on fundamental thermodynamics, we do not require additional loss terms to learn thermodynamic consistency. As the output is a fundamental property, we neither impose thermodynamic modeling limitations and assumptions. We demonstrate high accuracy and thermodynamic consistency of the activity coefficient predictions.