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R is a language and environment for statistical computing and graphics, which provides a wide variety of statistical tools (modeling, statistical testing, time series analysis, classification problems, machine learning, ...), together with amazing graphical techniques and the great advantage that it is highly extensible. Nowadays, there is no doubt that it is the software par excellence in statistical courses for any level, for theoretical and applied subjects alike. Besides, it has become an almost essential tool for every research work that involves any kind of analysis or data visualization. Furthermore, it is one of the most employed programming languages for general purposes. The goal of this work is helping to share ideas and resources to improve teaching and/or research using the statistical software R. We will cover its benefits, show how to get started and where to locate specific resources, and will make interesting recommendations for using R, according to our experience. For the classroom we will develop a curricular and assessment infrastructure to support both dissemination and evaluation, while for research we will offer a broader approach to quantitative studies that provides an excellent support for work in science and technology.

NeurAlly-Decomposed Oracle (NADO) is a powerful approach for controllable generation with large language models. Differentiating from finetuning/prompt tuning, it has the potential to avoid catastrophic forgetting of the large base model and achieve guaranteed convergence to an entropy-maximized closed-form solution without significantly limiting the model capacity. Despite its success, several challenges arise when applying NADO to more complex scenarios. First, the best practice of using NADO for the composition of multiple control signals is under-explored. Second, vanilla NADO suffers from gradient vanishing for low-probability control signals and is highly reliant on the forward-consistency regularization. In this paper, we study the aforementioned challenges when using NADO theoretically and empirically. We show we can achieve guaranteed compositional generalization of NADO with a certain practice, and propose a novel alternative parameterization of NADO to perfectly guarantee the forward-consistency. We evaluate the improved training of NADO, i.e. NADO++, on CommonGen. Results show that NADO++ improves the effectiveness of the algorithm in multiple aspects.

The bulk kinematics and thermodynamics of hot supernovae-driven galactic winds is critically dependent on both the amount of swept up cool clouds and non-spherical collimated flow geometry. However, accurately parameterizing these physics is difficult because their functional forms are often unknown, and because the coupled non-linear flow equations contain singularities. We show that deep neural networks embedded as individual terms in the governing coupled ordinary differential equations (ODEs) can robustly discover both of these physics, without any prior knowledge of the true function structure, as a supervised learning task. We optimize a loss function based on the Mach number, rather than the explicitly solved-for 3 conserved variables, and apply a penalty term towards near-diverging solutions. The same neural network architecture is used for learning both the hidden mass-loading and surface area expansion rates. This work further highlights the feasibility of neural ODEs as a promising discovery tool with mechanistic interpretability for non-linear inverse problems.

Recently deep learning and machine learning approaches have been widely employed for various applications in acoustics. Nonetheless, in the area of sound field processing and reconstruction classic methods based on the solutions of wave equation are still widespread. Recently, physics-informed neural networks have been proposed as a deep learning paradigm for solving partial differential equations which govern physical phenomena, bridging the gap between purely data-driven and model based methods. Here, we exploit physics-informed neural networks to reconstruct the early part of missing room impulse responses in an uniform linear array. This methodology allows us to exploit the underlying law of acoustics, i.e., the wave equation, forcing the neural network to generate physically meaningful solutions given only a limited number of data points. The results on real measurements show that the proposed model achieves accurate reconstruction and performance in line with respect to state-of-the-art deep-learning and compress sensing techniques while maintaining a lightweight architecture.

Integer linear programming (ILP) models a wide range of practical combinatorial optimization problems and has significant impacts in industry and management sectors. This work proposes new characterizations of ILP with the concept of boundary solutions. Motivated by the new characterizations, we develop an efficient local search solver, which is the first local search solver for general ILP validated on a large heterogeneous problem dataset. We propose a new local search framework that switches between three modes, namely Search, Improve, and Restore modes. We design tailored operators adapted to different modes, thus improving the quality of the current solution according to different situations. For the Search and Restore modes, we propose an operator named tight move, which adaptively modifies variables' values, trying to make some constraint tight. For the Improve mode, an efficient operator lift move is proposed to improve the quality of the objective function while maintaining feasibility. Putting these together, we develop a local search solver for integer linear programming called Local-ILP. Experiments conducted on the MIPLIB dataset show the effectiveness of our solver in solving large-scale hard integer linear programming problems within a reasonably short time. Local-ILP is competitive and complementary to the state-of-the-art commercial solver Gurobi and significantly outperforms the state-of-the-art non-commercial solver SCIP. Moreover, our solver establishes new records for 6 MIPLIB open instances. The theoretical analysis of our algorithm is also presented, which shows our algorithm could avoid visiting unnecessary regions and also maintain good connectivity of targeted solutions.

Ordinary and partial differential equations (DE) are used extensively in scientific and mathematical domains to model physical systems. Current literature has focused primarily on deep neural network (DNN) based methods for solving a specific DE or a family of DEs. Research communities with a history of using DE models may view DNN-based differential equation solvers (DNN-DEs) as a faster and transferable alternative to current numerical methods. However, there is a lack of systematic surveys detailing the use of DNN-DE methods across physical application domains and a generalized taxonomy to guide future research. This paper surveys and classifies previous works and provides an educational tutorial for senior practitioners, professionals, and graduate students in engineering and computer science. First, we propose a taxonomy to navigate domains of DE systems studied under the umbrella of DNN-DE. Second, we examine the theory and performance of the Physics Informed Neural Network (PINN) to demonstrate how the influential DNN-DE architecture mathematically solves a system of equations. Third, to reinforce the key ideas of solving and discovery of DEs using DNN, we provide a tutorial using DeepXDE, a Python package for developing PINNs, to develop DNN-DEs for solving and discovering a classic DE, the linear transport equation.

Large Language Models (LLMs) have significantly advanced natural language processing (NLP) with their impressive language understanding and generation capabilities. However, their performance may be suboptimal for long-tail or domain-specific tasks due to limited exposure to domain-specific knowledge and vocabulary. Additionally, the lack of transparency of most state-of-the-art (SOTA) LLMs, which can only be accessed via APIs, impedes further fine-tuning with custom data. Moreover, data privacy is a significant concern. To address these challenges, we propose the novel Parametric Knowledge Guiding (PKG) framework, which equips LLMs with a knowledge-guiding module to access relevant knowledge at runtime without altering the LLMs' parameters. Our PKG is based on open-source "white-box" small language models, allowing offline storage of any knowledge that LLMs require. We demonstrate that our PKG framework can enhance the performance of "black-box" LLMs on a range of long-tail and domain-specific downstream tasks requiring factual, tabular, medical, and multimodal knowledge.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

Despite its great success, machine learning can have its limits when dealing with insufficient training data. A potential solution is the additional integration of prior knowledge into the training process which leads to the notion of informed machine learning. In this paper, we present a structured overview of various approaches in this field. We provide a definition and propose a concept for informed machine learning which illustrates its building blocks and distinguishes it from conventional machine learning. We introduce a taxonomy that serves as a classification framework for informed machine learning approaches. It considers the source of knowledge, its representation, and its integration into the machine learning pipeline. Based on this taxonomy, we survey related research and describe how different knowledge representations such as algebraic equations, logic rules, or simulation results can be used in learning systems. This evaluation of numerous papers on the basis of our taxonomy uncovers key methods in the field of informed machine learning.

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.