Optimal transport gives structured data a geometry, but exact evaluation is costly in large pairwise analyses that exploit relationships among distances. Learned surrogates are faster, but need not preserve this metric structure. We develop a Deep Sets surrogate for OT between variable-size weighted point clouds that enforces non-negativity, exchange symmetry, and zero self-distance, leaving the triangle inequality unconstrained. Applied to the Energy Mover's Distance between collider events in a particle physics application, the Metric-Aware Particle Flow Network achieves percent-level mean absolute percentage error while significantly improving inference throughput over other exact and approximate methods surveyed. The architectural constraints are found to improve properties that are not explicitly enforced: across 106 held-out event triplets, triangle-inequality violations fall from 199 for a matched unconstrained network to 2, and the maximum from 149.5 to 5.8 GeV. These results demonstrate that targeted inductive biases can yield fast neural surrogates with substantially improved geometric fidelity.
We introduce a meshfree exterior calculus (MEEC) for learning structure-preserving descriptions of physics on point clouds, and use it to build MEEC-Net, a data-efficient surrogate that transfers across resolutions, geometries, and physical parameters. MEEC equips an ε-ball graph with virtual node and edge measures via a single sparse Schur complement solve; the resulting complex satisfies discrete conservation exactly, is end-to-end differentiable in the point positions, and exposes a direct geometry-to-physics link without the mesh-generation step required by conventional structure-preserving discretizations. MEEC-Net learns unknown physics as a shared edge-wise flux law in an SO(d)-invariant local frame, so the same kernel produces compatible fluxes on any point cloud whose features lie in the training range. We prove a solution-error bound that splits into discretization and kernel-approximation terms which is independent of problem geometry, explaining the observed transfer from very few examples. We show that single-solution training transfers to unseen geometries, boundary conditions, and physical parameters. On five canonical PDE benchmarks MEEC-Net achieves 1-2 orders of magnitude lower out-of-distribution error than baseline neural-operator approaches. On the SimJEB structural-bracket benchmark it achieves competitive error while using substantially fewer training geometries.
Benjamin D. Shaffer, Brooks Kinch, M. Ani Hsieh +1
Charged-particle tracking -- reconstructing trajectories from sparse detector measurements -- is a fundamental high-energy-physics inference problem and a canonical example of learning under extreme combinatorial ambiguity. At the High-Luminosity Large Hadron Collider (HL-LHC), tracking must remain accurate and efficient despite unprecedented collision densities. Graph neural networks perform strongly, but incur substantial costs from graph construction and processing, while transformer-based approaches rely on auxiliary stages that prevent end-to-end optimization. To address this, we present HEPTv2, an end-to-end point-transformer architecture that reconstructs tracks from detector hits in one trainable pipeline. HEPTv2 combines a locality-aware point encoder with a track decoder that predicts complete trajectories without graph-building, clustering, or filtering. The encoder uses locality-sensitive hashing in detector coordinate space to preserve tracking-relevant geometry while enabling efficient local attention. The decoder resolves ambiguities through sectorized decoding and direct hit-to-track prediction under joint encoder-decoder supervision, allowing the full pipeline to be optimized end-to-end. On TrackML, HEPTv2 achieves 98.6% double-majority tracking efficiency at a 0.8% fake rate, while requiring only ∼15ms inference time and 0.4GB peak memory per event on a NVIDIA A100 GPU. Latency and memory scale approximately linearly for events with up to 5×105 hits. HEPTv2 establishes a new state of the art in the accuracy-latency trade-off, improving efficiency by 4.5% over the strongest prior transformer and by 1.1--2.2% over optimized graph-based pipelines, while reducing latency by factors of 7 and 38--52, respectively. These results show end-to-end transformers can deliver the accuracy and efficiency required for real-time particle reconstruction at the HL-LHC.
Physics-informed neural particle flow (PINPF) learns a deterministic transport field that moves particles from a prior distribution toward a Bayesian posterior while enforcing the governing probability-evolution equation. However, the standard PINPF velocity model processes particles independently and therefore does not explicitly condition its transport decisions on the empirical particle population. This paper introduces population-aware PINPF (PA-PINPF), which augments each particle update with a permutation-invariant Deep Sets representation of the full particle set. We investigate two population encoders. PA-PINPF-State summarizes the particle states, whereas PA-PINPF-Feature summarizes the complete local physics-informed feature vectors, including particle position, pseudo-time, measurement information, likelihood values, and score information. The latter allows the population context to represent not only particle-cloud geometry, but also the population-level Bayesian transport geometry. The methods retain the original unsupervised physics-informed residual objective and require no ground-truth posterior samples during training. Experiments on range-measurement tasks and nonlinear time-difference-of-arrival posterior transport demonstrate that both population-aware variants improve over particle-wise PINPF, while feature-population encoding provides the strongest performance. These results show that population-level physics features provide useful global information for learned Bayesian particle transport.