Differentiable Hybrid Modelling for Learning and Optimising Chemical Transport Processes from Experimental Data

Reliable transport models are essential when modelling and optimising many chemical engineering processes, yet, most models assume hand-picked constitutive laws which may not reflect reality, and often assume initial conditions are known exactly. Both restrictions can significantly bias model predictions and lead to systematic error when used in predictive and control settings. Black-box neural surrogate alternatives for modelling can better match real example data, but are confined to the task they were trained on and cannot be interrogated for physical consistency. Here we introduce a general-purpose differentiable hybrid modelling framework for transport processes, specifically for the case of population balance equations. Our framework integrates a JAX finite volume population balance solver with learnable neural network components which are trained to both discover constitutive laws and fit initial conditions from real experimental data, allowing us to better model real experimental transport systems. Furthermore, we use our framework for process optimisation, using its differentiability to allow us to direct optimising experimental settings for quantities of interest. This work highlights the huge potential of such differentiable hybrid modelling frameworks for learning and optimising any given chemical separation which involves mass, energy, and/or momentum transport.

ADDA: a Modular Framework for Representing, Simulating and Assimilating Dynamics with End-to-end Differentiability

Data assimilation (DA) is an essential tool for prediction and understanding in the geosciences. DA combines simulation programs representing scientific knowledge with observations that constrain system dynamics, resulting in analyses and forecasts that incorporate both knowledge and data. DA tasks can be addressed with a diverse toolset, including variational, ensemble and learning-based methods. In particular, many recent works have proposed using automatic differentiation tools for variational, learning-based or hybrid methods. However, comprehensive comparisons across algorithms and dynamical systems remain challenging, due to the incompatibility of simulation and assimilation codes, inflexible handling of spatial and temporal discretizations, specialization of DA methods to specific simulations, and limited support for automatic differentiation and parallel computation in simulations. To address this challenge, we introduce Automatic Differentiation for Data Assimilation (ADDA), a software framework for defining and working with system states, simulations, observation schemes and DA methods. ADDA provides a powerful and flexible set of base classes for representing dynamical systems and observation operators, with support for collocated and staggered grids, unstructured meshes, Lagrangian state variables and irregular or continuous-time observations. Parallel processing and differentiability are first-class features, with support for batch axes and automatic differentiation throughout. ADDA is implemented in PyTorch library, but supports DA for JAX-based computation of dynamics and their gradients. To demonstrate its features, we further provide differentiable, ADDA-compatible implementations of 10 dynamical systems of various dimensionalities and scales, from which we design multiple illustrative DA examples. All of our code is publicly available at https://github.com/m-dml/ADDA.

Differentiate the Solver, Not the Equation: Reverse-Sweep Adjoints for Block Implicit Simulation

Differentiable simulation is a key component in learning, control, and inverse problems, where gradients through nonlinear implicit solvers are required. Existing approaches either rely on unrolled automatic differentiation, whose memory grows with solver depth, or on equation-level implicit differentiation, which assembles global Jacobians and solves large sparse adjoint systems, discarding the locality of the forward solver -- and differentiating the converged equation rather than the finite computation that actually ran. We propose solver-level differentiation, which differentiates the executed solver itself. When a solver is composed of block implicit updates, its discrete adjoint is obtained by applying the corresponding adjoint updates in reverse order, yielding a reverse-sweep formulation whose backward pass mirrors the forward solver. From an operator perspective, the forward pass realizes an approximate inverse through ordered local solves, and the backward applies its transpose through reverse local adjoint solves, constructing no global system. We instantiate this idea on Vertex Block Descent, yielding a differentiable solver whose reverse colored Gauss-Seidel sweeps are composed entirely of local $3\times 3$ adjoint solves. The backward matches automatic differentiation through the identical executed forward to machine precision at every solver depth, where the equation-level adjoint is off by 37% after one sweep; in a controlled same-codebase, same-GPU comparison it is 33x faster and uses 71x less memory than unrolled automatic differentiation; and the same construction is exact on projective dynamics and extended position-based dynamics. We scale differentiable elastodynamics to $10^6$ contact-coupled soft bodies (8M vertices) on one GPU. Overall, this work highlights solver structure as a practical organizing principle for efficient differentiable simulation.

SoRoMoX: Fast, Differentiable, and Parallelizable Soft Robot Models

Reduced-order models based on Cosserat-rod theory are now well established, and modeling theory is no longer the primary bottleneck in soft-robot control. Their implementations, however, do not support the differentiable, GPU-parallel, and control-oriented workflows that underpin advanced rigid-robotics applications. Here, we fill this gap with SoRoMoX (Soft Robot Models in JAX), a fully numerical, JIT-compilable Python/JAX framework. SoRoMoX implements articulated, Piecewise Constant Strain, and Variable Strain models through a unified, control-ready interface that provides inertia matrices, gravitational and elastic forces, Jacobians, and their derivatives. To our knowledge, it is the first rod/strain-based soft-robot modeling framework that runs directly on GPUs and is end-to-end differentiable with respect to states, inputs, and parameters. Sequential CPU rollouts are up to 18.1x faster than state-of-the-art alternatives, while GPU-parallel rollouts increase throughput by up to 234.6x. This performance enables workflows that were previously impractical or impossible: static-equilibrium system identification with 66% lower marker RMSE; residual-force learning with a further 64% reduction; computed-torque tracking with RMSE reduced by a factor of approximately 500 relative to model-free PD; control-gain optimization with up to 62% lower loss than untuned gains; safety-constrained control using high-order control barrier functions to keep the peak contact force within a prescribed 5 N bound, compared with 33.5 N without the safety constraint; and reinforcement-learning policy training up to 7x faster than a CPU PyElastica discrete-rod baseline through massively parallel rollouts.

BendTwin: Robust Dense-to-Sparse Physical Reconstruction with Bending-Aware Differentiable Spring-Mass Models

Reconstructing objects with mechanical properties from video observations enables physically consistent dynamic prediction, benefiting robotics planning and interaction. Existing spring--mass based physical driven reconstruction approaches offer efficient and differentiable physical reconstruction, but they typically rely on axial springs alone. Such formulations oversimplify the underlying structural mechanics and can become mechanically under-constrained when the physical graph is coarsened, limiting their ability to preserve stable local deformation. We present BendTwin, a bending-aware differentiable spring--mass framework for video-based reconstruction and future prediction of deformable objects. BendTwin introduces bending stiffness and damping over local surface triplets, penalizing deviations from rest angles and regularizing higher-order deformation. These bending constraints improve mechanical stability while preserving the simplicity of spring--mass system. Experiments show that BendTwin consistently outperforms the axial-only PhysTwin baseline. Ablation studies further demonstrate that the bending constraints maintain system stability across different downsampling ratios and consistently improve upon the original PhysTwin formulation. Overall, BendTwin provides an effective approach for constructing mechanically faithful digital twins from sparse-view RGB-D videos.

Open-DiffLoco: Open-Source Differentiable Learning for Deployable Blind Quadruped Locomotion

Developing deployable locomotion policies through conventional reinforcement learning often requires complex reward engineering and expensive training times. While differentiable simulation offers a highly efficient alternative, open-source tools capable of end-to-end transfer of these policies to physical hardware remain limited. This paper introduces Open-DiffLoco, an open-source framework for training deployable blind quadruped locomotion policies with differentiable simulation. The framework implements the Short-Horizon Actor-Critic (SHAC) algorithm in MuJoCo XLA (MJX) and trains a proprioceptive policy that transfers to real-world hardware. The deployed policy removes privileged actor observations, including base linear velocity, and does not rely on reference trajectories. It also uses a substantially simplified reward function, enabling the robot to discover walking patterns without the complex auxiliary rewards typically used in conventional reinforcement learning pipelines. When deployed on physical hardware (a Unitree Go2 quadruped), the trained policy tracks omnidirectional velocity commands with root-mean-square error below 0.2 m/s, reaches speeds above 1 m/s, and remains robust to uneven terrain and external physical disturbances, such as lateral pushes. Across the reported configurations, training uses under 6 GB of VRAM on a single NVIDIA GeForce RTX 5080 GPU and completes in approximately 20-60 minutes. As an algorithmic extension to SHAC, we propose Jacobian-Augmented Value Estimation (JAVE), which supervises the critic Jacobians to improve early first-order policy-gradient training. To our knowledge, Open-DiffLoco is the first open-source framework for training deployable locomotion policies using differentiable simulation. Deployment videos and source code are available at: https://diffloco.martin-opat.com/

Amortising Trajectory Optimisation for Residual MPC via Implicit Contact Differentiation

Differentiable simulation can accelerate contact-rich trajectory optimisation by exposing local sensitivities of task outcomes to controls. Existing approaches either use finite differences, which are expensive and step-size sensitive; differentiate iterative contact solvers by unrolling automatic differentiation (AD), which stores a growing computation trace; or require intricate, solver-specific KKT sensitivity derivations. We introduce an AD-assisted implicit derivative for regularised smooth contacts and apply it to Mujoco MJX, based on the Implicit Function Theorem (IFT). The method differentiates the stationarity residual at the tolerance-converged solution, avoiding both solver unrolling and hand-assembled KKT systems. IFT keeps compiled temporary memory nearly constant with solver effort, changing by less than 4$\%$ from one to ten iterations versus 10.6$\times$ growth for unrolled AD. IFT memory grows slower with active contacts and model dimension, using 20$\times$ less memory at 256 contacts and 6$\times$ less at 16 contacts and 96 DoF. We further introduce optimiser distillation for residual MPC, amortising batched full-horizon iLQR into a policy that guides short-horizon residual iLQR. Across Finger, Franka, and Unitree, this raises six-step success by 28-98 percentage points over standard iLQR.

NeuralActuator: Neural Actuation Modeling for Robot Dynamics and External Force Perception

Differentiable simulators have advanced policy learning and model-based control, yet actuator dynamics remain an important source of sim-to-real error. This is particularly acute on low-cost platforms, where the linear current-to-torque relation $τ= K_tI$ becomes unreliable during commanded-target tracking because of friction, hysteresis, backlash, and thermal effects. We present NeuralActuator, a neural actuator model that jointly predicts (i) a simulator-equivalent generalized-effort surrogate for trajectory propagation on low-cost servo platforms, (ii) external force with a contact-probability gate for sensorless force perception, and (iii) a motor-condition score for the supervised joint. We also introduce the Neural Actuation Dataset (NAD), collected with a twin-arm teleoperation system that records robot states and actuator telemetry together with external-force labels. The torque-surrogate head is trained through differentiable simulation from pose trajectories without direct generalized-effort labels, while the force, gate, and motor-condition heads receive direct supervision. A Transformer captures temporal dependencies while supporting real-time inference. We evaluate NeuralActuator on a 5-DoF OpenManipulator-X, a 6-DoF SO-101, and a 7-DoF Franka Emika Panda, spanning three actuator families and platforms costing approximately USD 500 to over USD 30,000. The low-cost platforms support dynamics and force evaluation, while the offline Franka experiment provides an additional payload-force-estimation benchmark. Experiments further demonstrate its application for motor condition estimation on OpenManipulator-X and improved behavior-cloning performance when NeuralActuator is used as a pretrained module.

Beyond Thermal Imaging: Inferring Thermophysical Properties from Time-Resolved Thermal Observations

Inferring latent physical properties from sensory observations is a fundamental challenge in machine perception. Among available sensing modalities, thermal imaging is particularly promising because temperature evolution is directly governed by heat-transfer physics and therefore encodes information about underlying thermophysical properties of a scene. Recovering spatially resolved thermophysical properties from thermal observations could transform applications ranging from digital twins and infrastructure monitoring to robotics and scientific imaging. However, existing thermal scene reconstruction methods can recover temperature fields in complex 3D environments without identifying the thermophyiscal properties that govern thermal evolution, whereas inverse methods provide physically interpretable parameter estimation but typically rely on simplified geometries and controlled experimental conditions. Here we introduce ThermoField, a framework that unifies thermal scene reconstruction and thermophysical parameter estimation through differentiable heat-transfer simulation. The proposed framework represents these quantities as spatially varying neural fields and constrains them through scene geometry, governing heat-transfer physics, and temporal thermal observations. We demonstrate that ThermoField jointly reconstructs geometry, estimates spatially varying thermal diffusivity, and predicts thermal evolution under previously unseen environmental conditions. By integrating neural scene representations with differentiable heat-transfer solver, the framework enables physically interpretable parameter inference in complex 3D scenes. Our results establish a bridge between thermal scene reconstruction and inverse heat-transfer analysis, providing a unified approach for geometry reconstruction, thermophysical property estimation, and predictive thermal simulation from thermal observations.

Backpropagating Through Simulation: Analytic Policy Gradients for Sample and Learning Efficient Differentiable Continuous Control

Model-free reinforcement learning algorithms such as Proximal Policy Optimization (PPO) treat the environment as a black box, estimating policy gradients from sampled rewards; this process demands millions of interactions and relies on high-variance advantage estimates. When environment dynamics are differentiable, the return is an end-to-end differentiable function of the policy parameters, enabling exact gradient computation via backpropagation through simulation. We term this approach Analytic Policy Gradients (APG) and evaluate it against PPO on four continuous control tasks of increasing dynamical complexity: a one-dimensional point-mass target-reaching task, a 2D point-mass navigation task with obstacle avoidance, a 2D rigid-body T-block pushing task, and a 7-DOF Franka FR3 end-effector reaching task. Both algorithms share identical model architectures, observation normalization, and optimizer settings. To decouple sample efficiency from compute efficiency, we design a multi-axis evaluation protocol that records performance against environment steps and gradient steps. We report a segmented backpropagation scheme with MC and critic-based bootstrap modes that mitigates gradient degradation on long-horizon tasks, and present ablations over segment length and bootstrap strategy.

A fully GPU-based workflow for building physics emulators of hypersonic flows

The ability to resolve complex physical phenomena with high fidelity and at low computational cost is central to addressing key challenges in modern engineering. A prime example lies in hypersonic flows, where the precise prediction of the full flowfield topology, in particular with respect to shock wave location and intensity, is critical. Yet supersonic and hypersonic flows continue to be a stumbling block for traditional reduced-order models and neural emulators that struggle to capture steep gradients in flow states with physical consistency in applications of industrial relevance. To that end, we introduce a fully GPU based workflow that integrates accelerated data generation with the training of neural emulators augmented by uncertainty quantification and physics-aware refinement. Our workflow is enabled by a differentiable high-fidelity solver (JAX-Fluids) which we employ for rapid dataset creation and residual-based improvement of the neural emulator to enhance physical consistency. Building on this framework, we first present a suite of model architectures and analyze their scaling behavior to expose their strengths and shortcomings. We then show that residual-based refinement enables training on cases where only mesh and input parameters are available, substantially reducing residuals and improving physical consistency. Together, differentiable simulation and residual-based refinement yield physics emulators that remain reliable beyond their training distribution, a key requirement for deploying surrogates in real-world engineering design loops.

Reduced-order Neural Modeling with Differentiable Simulation for High-Detail Tactile Perception

Tactile perception is key to dexterous manipulation, yet simulating high-resolution elastomer deformation remains computationally prohibitive. Finite element methods (FEM) deliver high fidelity but demand costly remeshing, while Material Point Methods (MPM) suffer from heavy particle-memory tradeoffs. We propose a {reduced-order neural simulation framework} that couples coarse-grained MPM dynamics with an implicit neural decoder to reconstruct sub-particle tactile details from compact latent states. The framework learns a continuous deformation manifold from paired high- and low-resolution simulations, enabling physically consistent, differentiable inference. Compared to the TacIPC, our method achieves over 65\% faster simulation and {40\% lower memory usage}, while maintaining better geometric fidelity. In tactile rendering and 3D surface reconstruction, our methods further improve accuracy by 25\% and produce realistic depth images and surface mesh within a faster inference speed. These results demonstrate that the proposed reduced-order neural model enables high-detail, physically grounded tactile simulation with substantial efficiency gains for robotic interaction and optimization.

DOT-Sim: Differentiable Optical Tactile Simulation with Precise Real-to-Sim Physical Calibration

Simulating optical tactile sensors presents significant challenges due to their high deformability and intricate optical properties. To address these issues and enable a physically accurate simulation, we propose DOT-Sim: Differentiable Optical Tactile Simulation. Unlike prior simulators that rely on simplified models of deformable sensors, DOT-Sim accurately captures the physical behavior of soft sensors by modeling them as elastic materials using the Material Point Method (MPM). DOT-Sim enables rapid calibration of optical tactile sensor simulation using a small number of demonstrations within minutes, which is substantially faster than existing methods. Compared to current baselines, our approach supports much larger and non-linear deformations. To handle the optical aspect, we propose a novel approach to simulating optical responses by learning a residual image relative to the real-world idle state. We validate the physical and visual realism of our method through a series of zero-shot sim-to-real tasks. Our experiments show that DOT-Sim (1) accurately replicates the physical dynamics of a DenseTact optical tactile sensor in reality, (2) generates realistic optical outputs in contact-rich scenarios, (3) enables direct deployment of simulation-trained classifiers in the real world, achieving 85% classification accuracy on challenging objects and 90% accuracy in embedded tumor-type detection, and (4) allows precise trajectory following with a policy trained from demonstrations in simulation, with an average error of less than 0.9 mm.