Deep Learning in Geotechnical Engineering: A Critical Assessment of PINNs and Operator Learning

Deep learning methods -- physics-informed neural networks (PINNs), deep operator networks (DeepONet), and graph network simulators (GNS) -- are increasingly proposed for geotechnical problems. This paper tests these methods against traditional solvers on canonical problems: wave propagation and beam-foundation interaction. PINNs run 90,000 times slower than finite difference with larger errors. DeepONet requires thousands of training simulations and breaks even only after millions of evaluations. Multi-layer perceptrons fail catastrophically when extrapolating beyond training data -- the common case in geotechnical prediction. GNS shows promise for geometry-agnostic simulation but faces scaling limits and cannot capture path-dependent soil behavior. For inverse problems, automatic differentiation through traditional solvers recovers material parameters with sub-percent accuracy in seconds. We recommend: use automatic differentiation for inverse problems; apply site-based cross-validation to account for spatial autocorrelation; reserve neural networks for problems where traditional solvers are genuinely expensive and predictions remain within the training envelope. When a method is four orders of magnitude slower with less accuracy, it is not a viable replacement for proven solvers.

Learning Generalizable Neural Operators for Inverse Problems

Inverse problems challenge existing neural operator architectures because ill-posed inverse maps violate continuity, uniqueness, and stability assumptions. We introduce B2B${}^{-1}$, an inverse basis-to-basis neural operator framework that addresses this limitation. Our key innovation is to decouple function representation from the inverse map. We learn neural basis functions for the input and output spaces, then train inverse models that operate on the resulting coefficient space. This structure allows us to learn deterministic, invertible, and probabilistic models within a single framework, and to choose models based on the degree of ill-posedness. We evaluate our approach on six inverse PDE benchmarks, including two novel datasets, and compare against existing invertible neural operator baselines. We learn probabilistic models that capture uncertainty and input variability, and remain robust to measurement noise due to implicit denoising in the coefficient calculation. Our results show consistent re-simulation performance across varying levels of ill-posedness. By separating representation from inversion, our framework enables scalable surrogate models for inverse problems that generalize across instances, domains, and degrees of ill-posedness.

Zero-Shot Function Encoder-Based Differentiable Predictive Control

We introduce a differentiable framework for zero-shot adaptive control over parametric families of nonlinear dynamical systems. Our approach integrates a function encoder-based neural ODE (FE-NODE) for modeling system dynamics with a differentiable predictive control (DPC) for offline self-supervised learning of explicit control policies. The FE-NODE captures nonlinear behaviors in state transitions and enables zero-shot adaptation to new systems without retraining, while the DPC efficiently learns control policies across system parameterizations, thus eliminating costly online optimization common in classical model predictive control. We demonstrate the efficiency, accuracy, and online adaptability of the proposed method across a range of nonlinear systems with varying parametric scenarios, highlighting its potential as a general-purpose tool for fast zero-shot adaptive control.

Parameter-Efficient Conditioning for Material Generalization in Graph-Based Simulators

Graph network-based simulators (GNS) have demonstrated strong potential for learning particle-based physics (such as fluids, deformable solids, and granular flows) while generalizing to unseen geometries due to their inherent inductive biases. However, existing models are typically trained for a single material type and fail to generalize across distinct constitutive behaviors, limiting their applicability in real-world engineering settings. Using granular flows as a running example, we propose a parameter-efficient conditioning mechanism that makes the GNS model adaptive to material parameters. We identify that sensitivity to material properties is concentrated in the early message-passing (MP) layers, a finding we link to the local nature of constitutive models (e.g., Mohr-Coulomb) and their effects on information propagation. We empirically validate this by showing that fine-tuning only the first few (1-5) of 10 MP layers of a pretrained model achieves comparable test performance as compared to fine-tuning the entire network. Building on this insight, we propose a parameter-efficient Feature-wise Linear Modulation (FiLM) conditioning mechanism designed to specifically target these early layers. This approach produces accurate long-term rollouts on unseen, interpolated, or moderately extrapolated values (e.g., up to 2.5 degrees for friction angle and 0.25 kPa for cohesion) when trained exclusively on as few as 12 short simulation trajectories from new materials, representing a 5-fold data reduction compared to a baseline multi-task learning method. Finally, we validate the model's utility by applying it to an inverse problem, successfully identifying unknown cohesion parameters from trajectory data. This approach enables the use of GNS in inverse design and closed-loop control tasks where material properties are treated as design variables.

AdversariaL attacK sAfety aLIgnment(ALKALI): Safeguarding LLMs through GRACE: Geometric Representation-Aware Contrastive Enhancement- Introducing Adversarial Vulnerability Quality Index (AVQI)

Adversarial threats against LLMs are escalating faster than current defenses can adapt. We expose a critical geometric blind spot in alignment: adversarial prompts exploit latent camouflage, embedding perilously close to the safe representation manifold while encoding unsafe intent thereby evading surface level defenses like Direct Preference Optimization (DPO), which remain blind to the latent geometry. We introduce ALKALI, the first rigorously curated adversarial benchmark and the most comprehensive to date spanning 9,000 prompts across three macro categories, six subtypes, and fifteen attack families. Evaluation of 21 leading LLMs reveals alarmingly high Attack Success Rates (ASRs) across both open and closed source models, exposing an underlying vulnerability we term latent camouflage, a structural blind spot where adversarial completions mimic the latent geometry of safe ones. To mitigate this vulnerability, we introduce GRACE - Geometric Representation Aware Contrastive Enhancement, an alignment framework coupling preference learning with latent space regularization. GRACE enforces two constraints: latent separation between safe and adversarial completions, and adversarial cohesion among unsafe and jailbreak behaviors. These operate over layerwise pooled embeddings guided by a learned attention profile, reshaping internal geometry without modifying the base model, and achieve up to 39% ASR reduction. Moreover, we introduce AVQI, a geometry aware metric that quantifies latent alignment failure via cluster separation and compactness. AVQI reveals when unsafe completions mimic the geometry of safe ones, offering a principled lens into how models internally encode safety. We make the code publicly available at https://anonymous.4open.science/r/alkali-B416/README.md.

SetONet: A Deep Set-based Operator Network for Solving PDEs with permutation invariant variable input sampling

Neural operators, particularly the Deep Operator Network (DeepONet), have shown promise in learning mappings between function spaces for solving differential equations. However, standard DeepONet requires input functions to be sampled at fixed locations, limiting its applicability in scenarios with variable sensor configurations, missing data, or irregular grids. We introduce the Set Operator Network (SetONet), a novel architecture that integrates Deep Sets principles into the DeepONet framework to address this limitation. The core innovation lies in the SetONet branch network, which processes the input function as an unordered \emph{set} of location-value pairs. This design ensures permutation invariance with respect to the input points, making SetONet inherently robust to variations in the number and locations of sensors. SetONet learns richer, spatially-aware input representations by explicitly processing spatial coordinates and function values. We demonstrate SetONet's effectiveness on several benchmark problems, including derivative/anti-derivative operators, 1D Darcy flow, and 2D elasticity. Results show that SetONet successfully learns operators under variable input sampling conditions where standard DeepONet fails. Furthermore, SetONet is architecturally robust to sensor drop-off; unlike standard DeepONet, which requires methods like interpolation to function with missing data. Notably, SetONet can achieve comparable or improved accuracy over DeepONet on fixed grids, particularly for nonlinear problems, likely due to its enhanced input representation. SetONet provides a flexible and robust extension to the neural operator toolkit, significantly broadening the applicability of operator learning to problems with variable or incomplete input data.

MLPs and KANs for data-driven learning in physical problems: A performance comparison

There is increasing interest in solving partial differential equations (PDEs) by casting them as machine learning problems. Recently, there has been a spike in exploring Kolmogorov-Arnold Networks (KANs) as an alternative to traditional neural networks represented by Multi-Layer Perceptrons (MLPs). While showing promise, their performance advantages in physics-based problems remain largely unexplored. Several critical questions persist: Can KANs capture complex physical dynamics and under what conditions might they outperform traditional architectures? In this work, we present a comparative study of KANs and MLPs for learning physical systems governed by PDEs. We assess their performance when applied in deep operator networks (DeepONet) and graph network-based simulators (GNS), and test them on physical problems that vary significantly in scale and complexity. Drawing inspiration from the Kolmogorov Representation Theorem, we examine the behavior of KANs and MLPs across shallow and deep network architectures. Our results reveal that although KANs do not consistently outperform MLPs when configured as deep neural networks, they demonstrate superior expressiveness in shallow network settings, significantly outpacing MLPs in accuracy over our test cases. This suggests that KANs are a promising choice, offering a balance of efficiency and accuracy in applications involving physical systems.

Investigating the effect of CPT in lateral spreading prediction using Explainable AI

This study proposes an autoencoder approach to extract latent features from cone penetration test profiles to evaluate the potential of incorporating CPT data in an AI model. We employ autoencoders to compress 200 CPT profiles of soil behavior type index (Ic) and normalized cone resistance (qc1Ncs) into ten latent features while preserving critical information. We then utilize the extracted latent features with site parameters to train XGBoost models for predicting lateral spreading occurrences in the 2011 Christchurch earthquake. Models using the latent CPT features outperformed models with conventional CPT metrics or no CPT data, achieving over 83% accuracy. Explainable AI revealed the most crucial latent feature corresponding to soil behavior between 1-3 meter depths, highlighting this depth range's criticality for liquefaction evaluation. The autoencoder approach provides an automated technique for condensing CPT profiles into informative latent features for machine-learning liquefaction models.

Machine Learning Aided Modeling of Granular Materials: A Review

Artificial intelligence (AI) has become a buzz word since Google's AlphaGo beat a world champion in 2017. In the past five years, machine learning as a subset of the broader category of AI has obtained considerable attention in the research community of granular materials. This work offers a detailed review of the recent advances in machine learning-aided studies of granular materials from the particle-particle interaction at the grain level to the macroscopic simulations of granular flow. This work will start with the application of machine learning in the microscopic particle-particle interaction and associated contact models. Then, different neural networks for learning the constitutive behaviour of granular materials will be reviewed and compared. Finally, the macroscopic simulations of practical engineering or boundary value problems based on the combination of neural networks and numerical methods are discussed. We hope readers will have a clear idea of the development of machine learning-aided modelling of granular materials via this comprehensive review work.

Explainable AI models for predicting liquefaction-induced lateral spreading

Earthquake-induced liquefaction can cause substantial lateral spreading, posing threats to infrastructure. Machine learning (ML) can improve lateral spreading prediction models by capturing complex soil characteristics and site conditions. However, the "black box" nature of ML models can hinder their adoption in critical decision-making. This study addresses this limitation by using SHapley Additive exPlanations (SHAP) to interpret an eXtreme Gradient Boosting (XGB) model for lateral spreading prediction, trained on data from the 2011 Christchurch Earthquake. SHAP analysis reveals the factors driving the model's predictions, enhancing transparency and allowing for comparison with established engineering knowledge. The results demonstrate that the XGB model successfully identifies the importance of soil characteristics derived from Cone Penetration Test (CPT) data in predicting lateral spreading, validating its alignment with domain understanding. This work highlights the value of explainable machine learning for reliable and informed decision-making in geotechnical engineering and hazard assessment.