An T. Le

Joe Watson, Chen Song, Oliver Weeger et al. · cambridge

This survey examines the broad suite of methods and models for combining machine learning with physics knowledge for prediction and forecast, with a focus on partial differential equations. These methods have attracted significant interest due to their potential impact on advancing scientific research and industrial practices by improving predictive models with small- or large-scale datasets and expressive predictive models with useful inductive biases. The survey has two parts. The first considers incorporating physics knowledge on an architectural level through objective functions, structured predictive models, and data augmentation. The second considers data as physics knowledge, which motivates looking at multi-task, meta, and contextual learning as an alternative approach to incorporating physics knowledge in a data-driven fashion. Finally, we also provide an industrial perspective on the application of these methods and a survey of the open-source ecosystem for physics-informed machine learning.

An T. Le, Kay Hansel, Jan Peters et al.

We present hierarchical policy blending as optimal transport (HiPBOT). HiPBOT hierarchically adjusts the weights of low-level reactive expert policies of different agents by adding a look-ahead planning layer on the parameter space. The high-level planner renders policy blending as unbalanced optimal transport consolidating the scaling of the underlying Riemannian motion policies. As a result, HiPBOT effectively decides the priorities between expert policies and agents, ensuring the task's success and guaranteeing safety. Experimental results in several application scenarios, from low-dimensional navigation to high-dimensional whole-body control, show the efficacy and efficiency of HiPBOT. Our method outperforms state-of-the-art baselines -- either adopting probabilistic inference or defining a tree structure of experts -- paving the way for new applications of optimal transport to robot control. More material at https://sites.google.com/view/hipobot

Julen Urain, An T. Le, Alexander Lambert et al.

In this paper, we focus on the problem of integrating Energy-based Models (EBM) as guiding priors for motion optimization. EBMs are a set of neural networks that can represent expressive probability density distributions in terms of a Gibbs distribution parameterized by a suitable energy function. Due to their implicit nature, they can easily be integrated as optimization factors or as initial sampling distributions in the motion optimization problem, making them good candidates to integrate data-driven priors in the motion optimization problem. In this work, we present a set of required modeling and algorithmic choices to adapt EBMs into motion optimization. We investigate the benefit of including additional regularizers in the learning of the EBMs to use them with gradient-based optimizers and we present a set of EBM architectures to learn generalizable distributions for manipulation tasks. We present multiple cases in which the EBM could be integrated for motion optimization and evaluate the performance of learned EBMs as guiding priors for both simulated and real robot experiments.

Joao Carvalho, An T. Le, Mark Baierl et al.

Learning priors on trajectory distributions can help accelerate robot motion planning optimization. Given previously successful plans, learning trajectory generative models as priors for a new planning problem is highly desirable. Prior works propose several ways on utilizing this prior to bootstrapping the motion planning problem. Either sampling the prior for initializations or using the prior distribution in a maximum-a-posterior formulation for trajectory optimization. In this work, we propose learning diffusion models as priors. We then can sample directly from the posterior trajectory distribution conditioned on task goals, by leveraging the inverse denoising process of diffusion models. Furthermore, diffusion has been recently shown to effectively encode data multimodality in high-dimensional settings, which is particularly well-suited for large trajectory dataset. To demonstrate our method efficacy, we compare our proposed method - Motion Planning Diffusion - against several baselines in simulated planar robot and 7-dof robot arm manipulator environments. To assess the generalization capabilities of our method, we test it in environments with previously unseen obstacles. Our experiments show that diffusion models are strong priors to encode high-dimensional trajectory distributions of robot motions.

Tuan Van Vo, Tan Q. Nguyen, Khang Nguyen et al.

Vision-Language-Action (VLA) models have gained much attention from the research community thanks to their strength in translating multimodal observations with linguistic instructions into desired robotic actions. Despite their advancements, VLAs often overlook explicit reasoning and learn the functional input-action mappings, omitting crucial logical steps, which are especially pronounced in interpretability and generalization for complex, long-horizon manipulation tasks. In this work, we propose ReFineVLA, a multimodal reasoning-aware framework that fine-tunes VLAs with teacher-guided reasons. We first augment robotic datasets with reasoning rationales generated by an expert teacher model, guiding VLA models to learn to reason about their actions. Then, we fine-tune pre-trained VLAs with the reasoning-enriched datasets with ReFineVLA, while maintaining the underlying generalization abilities and boosting reasoning capabilities. We also conduct attention map visualization to analyze the alignment among visual observation, linguistic prompts, and to-be-executed actions of ReFineVLA, reflecting the model is ability to focus on relevant tasks and actions. Through this additional step, we explore that ReFineVLA-trained models exhibit a meaningful agreement between vision-language and action domains, highlighting the enhanced multimodal understanding and generalization. Evaluated across a suite of simulated manipulation benchmarks on SimplerEnv with both WidowX and Google Robot tasks, ReFineVLA achieves state-of-the-art performance, in success rate over the second-best method on the both the WidowX benchmark and Google Robot Tasks.

Duy M. H. Nguyen, An T. Le, Trung Q. Nguyen et al.

Prompt learning methods are gaining increasing attention due to their ability to customize large vision-language models to new domains using pre-trained contextual knowledge and minimal training data. However, existing works typically rely on optimizing unified prompt inputs, often struggling with fine-grained classification tasks due to insufficient discriminative attributes. To tackle this, we consider a new framework based on a dual context of both domain-shared and class-specific contexts, where the latter is generated by Large Language Models (LLMs) such as GPTs. Such dual prompt methods enhance the model's feature representation by joining implicit and explicit factors encoded in LLM knowledge. Moreover, we formulate the Unbalanced Optimal Transport (UOT) theory to quantify the relationships between constructed prompts and visual tokens. Through partial matching, UOT can properly align discrete sets of visual tokens and prompt embeddings under different mass distributions, which is particularly valuable for handling irrelevant or noisy elements, ensuring that the preservation of mass does not restrict transport solutions. Furthermore, UOT's characteristics integrate seamlessly with image augmentation, expanding the training sample pool while maintaining a reasonable distance between perturbed images and prompt inputs. Extensive experiments across few-shot classification and adapter settings substantiate the superiority of our model over current state-of-the-art baselines.

An T. Le

Neural networks increasingly embed non-differentiable components (spiking neurons, quantized layers, discrete routing, blackbox simulators, etc.) where backpropagation is inapplicable and surrogate gradients introduce bias. We present PolyStep, a gradient-free optimizer that updates parameters using only forward passes. Each step evaluates the loss at structured polytope vertices in a compressed subspace, computes softmax-weighted assignments over the resulting cost matrix, and displaces particles toward low-cost vertices via barycentric projection. This update corresponds to the one-sided limit of a regularized optimal-transport problem, inheriting its geometric structure without Sinkhorn iterations. PolyStep trains genuinely non-differentiable models where existing gradient-free methods collapse to near-random accuracy. On hard-LIF spiking networks we reach 93.4% test accuracy, outperforming all gradient-free baselines by over 60~pp and closing to within 4.4~pp of a surrogate-gradient Adam ceiling. Across four additional non-differentiable architectures (int8 quantization, argmax attention, staircase activations, hard MoE routing) we lead every gradient-free competitor. On MAX-SAT scaling from 100 to 1M variables, we sustain above 92% clause satisfaction while evolution strategies drop 8--12~pp. On RL policy search, we match OpenAI-ES on classical control and retain performance under integer and binary quantization that collapses gradient-based methods. We prove convergence to conservative-stationary points at rate $O(\log T/\sqrt{T})$ on piecewise-smooth losses, upgraded to Clarke-stationary on the headline architectures and extended to the piecewise-constant regime via a hitting-time bound. These rates match the known zeroth-order query-complexity lower bounds that all forward-only methods inherit. Code is available at https://github.com/anindex/polystep.

An T. Le

We present warpax, an open-source, GPU-accelerated Python toolkit for observer-robust energy-condition verification of warp drive spacetimes, together with a benchmark application to six warp-drive geometries that demonstrates the methodology and produces new quantitative findings. Existing tools evaluate energy conditions for a finite sample of observer directions. warpax replaces discrete sampling with continuous, gradient-based optimization over the full timelike observer manifold, backed by Hawking--Ellis algebraic classification. At Type~I stress-energy points, which dominate all tested metrics, an algebraic eigenvalue check determines energy-condition satisfaction exactly, independent of any observer search. At non-Type~I points, the optimizer provides rapidity-capped diagnostics. Stress-energy tensors are computed from the Arnowitt--Deser--Misner metric via forward-mode automatic differentiation, eliminating finite-difference truncation error. We apply warpax to five warp drive metrics (Alcubierre, Lentz, Van~Den~Broeck, Nat'ario, Rodal) and one warp shell metric. For several metrics, the standard Eulerian-frame analysis misses a significant fraction of violated grid points; even where it identifies the correct violation set, observer optimization reveals violation magnitudes can be orders of magnitude larger. These results demonstrate that single-frame evaluation can systematically underestimate both the spatial extent and severity of energy-condition violations. Throughout, we distinguish the invariant energy density (eigenvalue of $T^a{}b$) from the observer-dependent $T{ab},u^a u^b$ and the Eulerian projection. All results use subluminal bubble velocities; at superluminal speeds, the Alcubierre-family metrics develop signature changes outside our assumptions. warpax is freely available at https://github.com/anindex/warpax

An T. Le

We study rocket-driven Penrose extraction in the test-particle limit on a fixed Kerr background for equatorial prograde flybys under explicit steering prescriptions. A spacecraft ejects exhaust inside the ergosphere; when the exhaust attains negative Killing energy, the remaining spacecraft gains energy by 4-momentum conservation. Across 320{,}000 simulated trajectories spanning black-hole spin, exhaust velocity, and orbital parameters, extraction with escape is rare in broad parameter scans (at most ${\sim}1\%$) and requires high spin ($a/M\gtrsim 0.89$), highly relativistic exhaust ($v_e\gtrsim 0.91c$), and finely tuned initial conditions. Under optimal tuning the success rate reaches ${\sim}70\%$ at $a/M = 0.95$. For representative escape trajectories, a single periapsis impulse is more propellant-efficient than the continuous-thrust controllers studied here. All quoted thresholds are empirical and specific to the orbit family, prior, and steering protocol studied.

Joao Carvalho, An T. Le, Philipp Jahr et al.

Grasping objects successfully from a single-view camera is crucial in many robot manipulation tasks. An approach to solve this problem is to leverage simulation to create large datasets of pairs of objects and grasp poses, and then learn a conditional generative model that can be prompted quickly during deployment. However, the grasp pose data is highly multimodal since there are several ways to grasp an object. Hence, in this work, we learn a grasp generative model with diffusion models to sample candidate grasp poses given a partial point cloud of an object. A novel aspect of our method is to consider diffusion in the manifold space of rotations and to propose a collision-avoidance cost guidance to improve the grasp success rate during inference. To accelerate grasp sampling we use recent techniques from the diffusion literature to achieve faster inference times. We show in simulation and real-world experiments that our approach can grasp several objects from raw depth images with $90\%$ success rate and benchmark it against several baselines.

An T. Le, Kay Hansel, João Carvalho et al.

Batch planning is increasingly necessary to quickly produce diverse and quality motion plans for downstream learning applications, such as distillation and imitation learning. This paper presents Global Tensor Motion Planning (GTMP) -- a sampling-based motion planning algorithm comprising only tensor operations. We introduce a novel discretization structure represented as a random multipartite graph, enabling efficient vectorized sampling, collision checking, and search. We provide a theoretical investigation showing that GTMP exhibits probabilistic completeness while supporting modern GPU/TPU. Additionally, by incorporating smooth structures into the multipartite graph, GTMP directly plans smooth splines without requiring gradient-based optimization. Experiments on lidar-scanned occupancy maps and the MotionBenchMarker dataset demonstrate GTMP's computation efficiency in batch planning compared to baselines, underscoring GTMP's potential as a robust, scalable planner for diverse applications and large-scale robot learning tasks.

Duy M. H. Nguyen, Nina Lukashina, Tai Nguyen et al.

A molecule's 2D representation consists of its atoms, their attributes, and the molecule's covalent bonds. A 3D (geometric) representation of a molecule is called a conformer and consists of its atom types and Cartesian coordinates. Every conformer has a potential energy, and the lower this energy, the more likely it occurs in nature. Most existing machine learning methods for molecular property prediction consider either 2D molecular graphs or 3D conformer structure representations in isolation. Inspired by recent work on using ensembles of conformers in conjunction with 2D graph representations, we propose $\mathrm{E}$(3)-invariant molecular conformer aggregation networks. The method integrates a molecule's 2D representation with that of multiple of its conformers. Contrary to prior work, we propose a novel 2D-3D aggregation mechanism based on a differentiable solver for the Fused Gromov-Wasserstein Barycenter problem and the use of an efficient conformer generation method based on distance geometry. We show that the proposed aggregation mechanism is $\mathrm{E}$(3) invariant and propose an efficient GPU implementation. Moreover, we demonstrate that the aggregation mechanism helps to significantly outperform state-of-the-art molecule property prediction methods on established datasets.

An T. Le, Vien Ngo

We introduce \textbf{AAC} (Architecturally Admissible Compressor), a differentiable landmark-selection module for ALT (A*, Landmarks, and Triangle inequality) shortest-path heuristics whose outputs are admissible by construction: each forward pass is a row-stochastic mixture of triangle-inequality lower bounds, so the heuristic is admissible for \emph{every} parameter setting without requiring convergence, calibration, or projection. At deployment, the module reduces to classical ALT on a learned subset, composing end-to-end with neural encoders while preserving the classical toolchain. The construction is the first differentiable instance of the compress-while-preserving-admissibility tradition in classical heuristic search. Under a matched per-vertex memory protocol, we establish that ALT with farthest-point-sampling landmarks (FPS-ALT) has provably near-optimal coverage on metric graphs, leaving at most a few percentage points of headroom for \emph{any} selector. AAC operates near this ceiling: the gap is $0.9$--$3.9$ percentage points on 9 road networks and ${\leq}1.3$ percentage points on synthetic graphs, with zero admissibility violations across $1{,}500+$ queries and all logged runs. At matched memory, AAC is also $1.2$--$1.5{\times}$ faster than FPS-ALT at the median query on DIMACS road networks, amortizing its offline cost within $170$--$1{,}924$ queries. A controlled ablation isolates the binding constraint: training-objective drift under default initialization, not architectural capacity; identity-on-first-$m$ initialization closes the expansion-count gap entirely. We release the module, a reusable matched-memory benchmarking protocol with paired two-one-sided-test (TOST) equivalence and pre-registration, and a reference compressed-differential-heuristics baseline.

Duy M. H. Nguyen, Tuan A. Tran, Duong Nguyen et al.

Recent token merging techniques for Vision Transformers (ViTs) provide substantial speedups by reducing the number of tokens processed by self-attention, often without retraining. However, their direct application to the Segment Anything Model (SAM) family is nontrivial: SAM's image encoder mixes windowed and global attention, and its mask decoder relies on dense, prompt-conditioned features for precise boundary prediction. We systematically evaluate representative token-merging methods on SAM and Medical SAM in a strict off-the-shelf setting, and find that existing destination-selection heuristics can erode boundaries and leak prompt information as merge rates increase. We propose \textbf{StructSAM}, a resolution-preserving merge-unmerge framework tailored to SAM. StructSAM computes a lightweight token-energy score from first-order feature gradients, uses grid-based flatness screening to protect boundary and prompt regions, and merges tokens within flat areas toward low-energy destinations with explicit token recovery. We further provide a spectral graph coarsening view showing that score-guided merging yields bounded Laplacian spectral distortion compared to random or window-restricted baselines. Across eight natural and medical benchmarks, StructSAM reduces encoder FLOPs by 25-30\% (up to 40\%+ with prompt-aware merging) with minor drops in mIoU/Dice, consistently outperforming ToMe, PiToMe, ToMeSD, VidToMe, and ALGM at the same compute.

An T. Le, Khai Nguyen, Minh Nhat Vu et al.

Sampling-based model predictive control (MPC) offers strong performance in nonlinear and contact-rich robotic tasks, yet often suffers from poor exploration due to locally greedy sampling schemes. We propose \emph{Model Tensor Planning} (MTP), a novel sampling-based MPC framework that introduces high-entropy control trajectory generation through structured tensor sampling. By sampling over randomized multipartite graphs and interpolating control trajectories with B-splines and Akima splines, MTP ensures smooth and globally diverse control candidates. We further propose a simple $β$-mixing strategy that blends local exploitative and global exploratory samples within the modified Cross-Entropy Method (CEM) update, balancing control refinement and exploration. Theoretically, we show that MTP achieves asymptotic path coverage and maximum entropy in the control trajectory space in the limit of infinite tensor depth and width. Our implementation is fully vectorized using JAX and compatible with MuJoCo XLA, supporting \emph{Just-in-time} (JIT) compilation and batched rollouts for real-time control with online domain randomization. Through experiments on various challenging robotic tasks, ranging from dexterous in-hand manipulation to humanoid locomotion, we demonstrate that MTP outperforms standard MPC and evolutionary strategy baselines in task success and control robustness. Design and sensitivity ablations confirm the effectiveness of MTP tensor sampling structure, spline interpolation choices, and mixing strategy. Altogether, MTP offers a scalable framework for robust exploration in model-based planning and control.

An T. Le, Meng Guo, Niels van Duijkeren et al.

Learning from Demonstration (LfD) provides an intuitive and fast approach to program robotic manipulators. Task parameterized representations allow easy adaptation to new scenes and online observations. However, this approach has been limited to pose-only demonstrations and thus only skills with spatial and temporal features. In this work, we extend the LfD framework to address forceful manipulation skills, which are of great importance for industrial processes such as assembly. For such skills, multi-modal demonstrations including robot end-effector poses, force and torque readings, and operation scene are essential. Our objective is to reproduce such skills reliably according to the demonstrated pose and force profiles within different scenes. The proposed method combines our previous work on task-parameterized optimization and attractor-based impedance control. The learned skill model consists of (i) the attractor model that unifies the pose and force features, and (ii) the stiffness model that optimizes the stiffness for different stages of the skill. Furthermore, an online execution algorithm is proposed to adapt the skill execution to real-time observations of robot poses, measured forces, and changed scenes. We validate this method rigorously on a 7-DoF robot arm over several steps of an E-bike motor assembly process, which require different types of forceful interaction such as insertion, sliding and twisting.

An T. Le, Philipp Kratzer, Simon Hagenmayer et al.

In this paper, we tackle the problem of human-robot coordination in sequences of manipulation tasks. Our approach integrates hierarchical human motion prediction with Task and Motion Planning (TAMP). We first devise a hierarchical motion prediction approach by combining Inverse Reinforcement Learning and short-term motion prediction using a Recurrent Neural Network. In a second step, we propose a dynamic version of the TAMP algorithm Logic-Geometric Programming (LGP). Our version of Dynamic LGP, replans periodically to handle the mismatch between the human motion prediction and the actual human behavior. We assess the efficacy of the approach by training the prediction algorithms and testing the framework on the publicly available MoGaze dataset.