Normative non-functional requirements specify constraints that a system must observe in order to avoid violations of social, legal, ethical, empathetic, and cultural norms. As these requirements are typically defined by non-technical system stakeholders with different expertise and priorities (ethicists, lawyers, social scientists, etc.), ensuring their well-formedness and consistency is very challenging. Recent research has tackled this challenge using a domain-specific language to specify normative requirements as rules whose consistency can then be analysed with formal methods. In this paper, we propose a complementary approach that uses Large Language Models to extract semantic relationships between abstract representations of system capabilities. These relations, which are often assumed implicitly by non-technical stakeholders (e.g., based on common sense or domain knowledge), are then used to enrich the automated reasoning techniques for eliciting and analyzing the consistency of normative requirements. We show the effectiveness of our approach to normative requirements elicitation and operationalization through a range of real-world case studies.
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Ordinary differential equations (ODEs) are widely used to describe dynamical systems in science, but identifying parameters that explain experimental measurements is challenging. In particular, although ODEs are differentiable and would allow for gradient-based parameter optimization, the nonlinear dynamics of ODEs often lead to many local minima and extreme sensitivity to initial conditions. We therefore propose diffusion tempering, a novel regularization technique for probabilistic numerical methods which improves convergence of gradient-based parameter optimization in ODEs. By iteratively reducing a noise parameter of the probabilistic integrator, the proposed method converges more reliably to the true parameters. We demonstrate that our method is effective for dynamical systems of different complexity and show that it obtains reliable parameter estimates for a Hodgkin-Huxley model with a practically relevant number of parameters.
Higher-order numerical methods are used to find accurate numerical solutions to hyperbolic partial differential equations and equations of transport type. Limiting is required to either converge to the correct type of solution or to adhere to physically motivated local maximum principles. Less restrictive limiting procedures are required so as to not severely decrease the accuracy. In this paper, we develop an existing slope limiter framework, to achieve different local boundedness principles for higher-order schemes on unstructured meshes. Quadrature points contributing to numerical fluxes can be limited based on face defined maximum principles, and the resulting cell mean at the next timestep can satisfy a cell mean maximum principle but with less limiting. We demonstrate the practical application of the introduced framework to a second-order finite volume scheme as well as a fourth-order finite volume scheme, in the context of the advection equation.
Multicellular self-assembly into functional structures is a dynamic process that is critical in the development and diseases, including embryo development, organ formation, tumor invasion, and others. Being able to infer collective cell migratory dynamics from their static configuration is valuable for both understanding and predicting these complex processes. However, the identification of structural features that can indicate multicellular motion has been difficult, and existing metrics largely rely on physical instincts. Here we show that using a graph neural network (GNN), the motion of multicellular collectives can be inferred from a static snapshot of cell positions, in both experimental and synthetic datasets.
As the development of measuring instruments and computers has accelerated the collection of massive amounts of data, functional data analysis (FDA) has experienced a surge of attention. The FDA methodology treats longitudinal data as a set of functions on which inference, including regression, is performed. Functionalizing data typically involves fitting the data with basis functions. In general, the number of basis functions smaller than the sample size is selected. This paper casts doubt on this convention. Recent statistical theory has revealed the so-called double-descent phenomenon in which excess parameters overcome overfitting and lead to precise interpolation. Applying this idea to choosing the number of bases to be used for functional data, we show that choosing an excess number of bases can lead to more accurate predictions. Specifically, we explored this phenomenon in a functional regression context and examined its validity through numerical experiments. In addition, we introduce two real-world datasets to demonstrate that the double-descent phenomenon goes beyond theoretical and numerical experiments, confirming its importance in practical applications.
Important tasks such as reasoning and planning are fundamentally algorithmic, meaning that solving them robustly requires acquiring true reasoning or planning algorithms, rather than shortcuts. Large Language Models lack true algorithmic ability primarily because of the limitations of neural network optimization algorithms, their optimization data and optimization objective, but also due to architectural inexpressivity. To solve this, our paper proposes augmenting LLMs with a library of fundamental operations and sophisticated differentiable programs, so that common algorithms do not need to be learned from scratch. We add memory, registers, basic operations, and adaptive recurrence to a transformer architecture built on LLaMA3. Then, we define a method for directly compiling algorithms into a differentiable starting library, which is used natively and propagates gradients for optimization. In this preliminary study, we explore the feasability of augmenting LLaMA3 with a differentiable computer, for instance by fine-tuning small transformers on simple algorithmic tasks with variable computational depth.
For performance and verification in machine learning, new methods have recently been proposed that optimise learning systems to satisfy formally expressed logical properties. Among these methods, differentiable logics (DLs) are used to translate propositional or first-order formulae into loss functions deployed for optimisation in machine learning. At the same time, recent attempts to give programming language support for verification of neural networks showed that DLs can be used to compile verification properties to machine-learning backends. This situation is calling for stronger guarantees about the soundness of such compilers, the soundness and compositionality of DLs, and the differentiability and performance of the resulting loss functions. In this paper, we propose an approach to formalise existing DLs using the Mathematical Components library in the Coq proof assistant. Thanks to this formalisation, we are able to give uniform semantics to otherwise disparate DLs, give formal proofs to existing informal arguments, find errors in previous work, and provide formal proofs to missing conjectured properties. This work is meant as a stepping stone for the development of programming language support for verification of machine learning.
Extensive research on formal verification of machine learning systems indicates that learning from data alone often fails to capture underlying background knowledge such as specifications implicitly available in the data. Various neural network verifiers have been developed to ensure that a machine-learnt model satisfies correctness and safety properties, however, they typically assume a trained network with fixed weights. A promising approach for creating machine learning models that inherently satisfy constraints after training is to encode background knowledge as explicit logical constraints that guide the learning process via so-called differentiable logics. In this paper, we experimentally compare and evaluate various logics from the literature, presenting our findings and highlighting open problems for future work.
It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.
Aspect based sentiment analysis (ABSA) can provide more detailed information than general sentiment analysis, because it aims to predict the sentiment polarities of the given aspects or entities in text. We summarize previous approaches into two subtasks: aspect-category sentiment analysis (ACSA) and aspect-term sentiment analysis (ATSA). Most previous approaches employ long short-term memory and attention mechanisms to predict the sentiment polarity of the concerned targets, which are often complicated and need more training time. We propose a model based on convolutional neural networks and gating mechanisms, which is more accurate and efficient. First, the novel Gated Tanh-ReLU Units can selectively output the sentiment features according to the given aspect or entity. The architecture is much simpler than attention layer used in the existing models. Second, the computations of our model could be easily parallelized during training, because convolutional layers do not have time dependency as in LSTM layers, and gating units also work independently. The experiments on SemEval datasets demonstrate the efficiency and effectiveness of our models.
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