arXiv subjects

Felix Liu

Publications and source records attributed to Felix Liu.

11 recordsLinked to original sources

arXiv2026

Apodex Discovery: Reality Benchmarks and Environments for Evaluating and Building Discoverative Artificial Intelligence

Apollo did not reach the Moon merely because its engineers could solve difficult equations. It succeeded by turning a distant ambition into a mission architecture of explicit objectives, simulation, verification, and repeated correction. AI now faces a similar transition: frontier models can solve difficult tasks once the problem, tools, and success criteria are specified, yet consequential real-world challenges rarely arrive in an executable or verifiable form. We introduce Apodex Discovery, a framework for building and evaluating discoverative AI through the heavy-duty solver, a system comprising a foundation model, harness, tools, and control policies that pursues extended, stateful, verifiable investigations. It has three core components. First, a problem-scouting process surveyed 561 industries across 16 sectors, assembled 423 high-value real-world problems, and selected 20 for the initial release. Second, a common environment-task-episode abstraction provides data, tools, constraints, feedback, trajectory recording, and verification of intermediate artifacts and final submissions. Third, HDS6 evaluates Tools, Repair, Alternatives, Coherence, Evidence, and Scope independently of final-task success. In AAV capsid design, Apodex surpassed the published state of the art by 7% across viability, tropism, structure prediction, and generative design. In drug repurposing and reformulation, a task-specific biomedical environment improved the mean normalized prediction score of GPT-5.5 and GPT-5.6-sol by 2.5 and 7.6 points over the same closed-book backbone. Controlled ablations show that the fixed TRACES episode interface enables attribution of performance differences to specific solver components. Apodex Discovery moves AI evaluation beyond predefined benchmarks toward verifiable investigations aimed at genuine discovery.

cs.AI↗

arXiv2026

Signatures of quantum chaos in phonon-polariton billiards

We use scanning near-field optical microscopy to image hyperbolic phonon polaritons in hexagonal boron nitride (hBN) billiards with integrable and chaotic geometries. In Sinai billiards, we observe irregular mode patterns consistent with quantum scarring, together with an unexpected sensitivity to weak probe perturbations. These random-wave features coexist with non-chaotic one-dimensional boundary modes arising from nontrivial polariton reflection at the billiard edge. As the billiard boundary becomes increasingly complex, the Fourier transforms of the measured signals evolve toward ring-like structures consistent with Berry's random-wave conjecture. We develop a numerical framework based on the Helmholtz equation with generalized boundary conditions that encode angle-dependent reflection phase shifts. The calculated level statistics exhibit a crossover from Poisson-like behavior in integrable billiards to Wigner-Dyson-like behavior in chaotic geometries, with small deviations from the canonical form arising from nonlinear boundary conditions that require self-consistent bulk-boundary analysis. Theoretical analysis based on dissipative Green's functions qualitatively reproduces the near-field data. These results establish mesoscopic van der Waals billiards as a rich platform for studying generalized chaotic dynamics of hybrid light-matter polaritons.

cond-mat.mes-hall↗

arXiv2024

The object detection method aids in image reconstruction evaluation and clinical interpretation of meniscal abnormalities

This study investigates the relationship between deep learning (DL) image reconstruction quality and anomaly detection performance, and evaluates the efficacy of an artificial intelligence (AI) assistant in enhancing radiologists' interpretation of meniscal anomalies on reconstructed images. A retrospective study was conducted using an in-house reconstruction and anomaly detection pipeline to assess knee MR images from 896 patients. The original and 14 sets of DL-reconstructed images were evaluated using standard reconstruction and object detection metrics, alongside newly developed box-based reconstruction metrics. Two clinical radiologists reviewed a subset of 50 patients' images, both original and AI-assisted reconstructed, with subsequent assessment of their accuracy and performance characteristics. Results indicated that the structural similarity index (SSIM) showed a weaker correlation with anomaly detection metrics (mAP, r=0.64, p=0.01; F1 score, r=0.38, p=0.18), while box-based SSIM had a stronger association with detection performance (mAP, r=0.81, p<0.01; F1 score, r=0.65, p=0.01). Minor SSIM fluctuations did not affect detection outcomes, but significant changes reduced performance. Radiologists' AI-assisted evaluations demonstrated improved accuracy (86.0% without assistance vs. 88.3% with assistance, p<0.05) and interrater agreement (Cohen's kappa, 0.39 without assistance vs. 0.57 with assistance). An additional review led to the incorporation of 17 more lesions into the dataset. The proposed anomaly detection method shows promise in evaluating reconstruction algorithms for automated tasks and aiding radiologists in interpreting DL-reconstructed MR images.

eess.IV↗

arXiv2024

A GPU-Accelerated Interior Point Method for Radiation Therapy Optimization

Optimization plays a central role in modern radiation therapy, where it is used to determine optimal treatment machine parameters in order to deliver precise doses adapted to each patient case. In general, solving the optimization problems that arise can present a computational bottleneck in the treatment planning process, as they can be large in terms of both variables and constraints. In this paper, we develop a GPU accelerated optimization solver for radiation therapy applications, based on an interior point method (IPM) utilizing iterative linear algebra to find search directions. The use of iterative linear algebra makes the solver suitable for porting to GPUs, as the core computational kernels become standard matrix-vector or vector-vector operations. Our solver is implemented in C++20 and uses CUDA for GPU acceleration. The problems we solve are from the commercial treatment planning system RayStation, developed by RaySearch Laboratories (Stockholm, Sweden), which is used clinically in hundreds of cancer clinics around the world. RayStation solves (in general) nonlinear optimization problems using a sequential quadratic programming (SQP) method, where the main computation lies in solving quadratic programming (QP) sub-problems in each iteration. GPU acceleration for the solution of such QP sub-problems is the focus of the interior point method of this work. We benchmark our solver against the existing QP-solver in RayStation and show that our GPU accelerated IPM can accelerate the aggregated time-to-solution for all QP sub-problems in one SQP solve by 1.4 and 4.4 times, respectively, for two real patient cases.

math.OC↗

arXiv2024

Accelerating Particle-in-Cell Monte Carlo Simulations with MPI, OpenMP/OpenACC and Asynchronous Multi-GPU Programming

As fusion energy devices advance, plasma simulations are crucial for reactor design. Our work extends BIT1 hybrid parallelization by integrating MPI with OpenMP and OpenACC, focusing on asynchronous multi-GPU programming. Results show significant performance gains: 16 MPI ranks plus OpenMP threads reduced runtime by 53% on a petascale EuroHPC supercomputer, while OpenACC multicore achieved a 58% reduction. At 64 MPI ranks, OpenACC outperformed OpenMP, improving the particle mover function by 24%. On MareNostrum 5, OpenACC async(n) delivered strong performance, but OpenMP asynchronous multi-GPU approach proved more effective at extreme scaling, maintaining efficiency up to 400 GPUs. Speedup and parallel efficiency (PE) studies revealed OpenMP asynchronous multi-GPU achieving 8.77x speedup (54.81% PE), surpassing OpenACC (8.14x speedup, 50.87% PE). While PE declined at high node counts due to communication overhead, asynchronous execution mitigated scalability bottlenecks. OpenMP nowait and depend clauses improved GPU performance via efficient data transfer and task management. Using NVIDIA Nsight tools, we confirmed BIT1 efficiency for large-scale plasma simulations. OpenMP asynchronous multi-GPU implementation delivered exceptional performance in portability, high throughput, and GPU utilization, positioning BIT1 for exascale supercomputing and advancing fusion energy research. MareNostrum 5 brings us closer to achieving exascale performance.

cs.DC↗

arXiv2023

Anderson Accelerated PMHSS for Complex-Symmetric Linear Systems

This paper presents the design and development of an Anderson Accelerated Preconditioned Modified Hermitian and Skew-Hermitian Splitting (AA-PMHSS) method for solving complex-symmetric linear systems with application to electromagnetics problems, such as wave scattering and eddy currents. While it has been shown that the Anderson Acceleration of real linear systems is essentially equivalent to GMRES, we show here that the formulation using Anderson acceleration leads to a more performant method. We show relatively good robustness compared to existing preconditioned GMRES methods and significantly better performance due to the faster evaluation of the preconditioner. In particular, AA-PMHSS can be applied to solve problems and equations arising from electromagnetics, such as time-harmonic eddy current simulations discretized with the Finite Element Method. We also evaluate three test systems present in previous literature. We show that the method is competitive with two types of preconditioned GMRES. One of the significant advantages of these methods is that the convergence rate is independent of the discretization size.

math.NA↗

arXiv2023

Krylov Solvers for Interior Point Methods with Applications in Radiation Therapy and Support Vector Machines

Interior point methods are widely used for different types of mathematical optimization problems. Many implementations of interior point methods in use today rely on direct linear solvers to solve systems of equations in each iteration. The need to solve ever larger optimization problems more efficiently and the rise of hardware accelerators for general purpose computing has led to a large interest in using iterative linear solvers instead, with the major issue being inevitable ill-conditioning of the linear systems arising as the optimization progresses. We investigate the use of Krylov solvers for interior point methods in solving optimization problems from radiation therapy and support vector machines. We implement a prototype interior point method using a so called doubly augmented formulation of the Karush-Kuhn-Tucker linear system of equations, originally proposed by Forsgren and Gill, and evaluate its performance on real optimization problems from radiation therapy and support vector machines. Crucially, our implementation uses a preconditioned conjugate gradient method with Jacobi preconditioning internally. Our measurements of the conditioning of the linear systems indicate that the Jacobi preconditioner improves the conditioning of the systems to a degree that they can be solved iteratively, but there is room for further improvement in that regard. Furthermore, profiling of our prototype code shows that it is suitable for GPU acceleration, which may further improve its performance in practice. Overall, our results indicate that our method can find solutions of acceptable accuracy in reasonable time, even with a simple Jacobi preconditioner.

math.OC↗

arXiv2023

Parallel Cholesky Factorization for Banded Matrices using OpenMP Tasks

Cholesky factorization is a widely used method for solving linear systems involving symmetric, positive-definite matrices, and can be an attractive choice in applications where a high degree of numerical stability is needed. One such application is numerical optimization, where direct methods for solving linear systems are widely used and often a significant performance bottleneck. An example where this is the case, and the specific type of optimization problem motivating this work, is radiation therapy treatment planning, where numerical optimization is used to create individual treatment plans for patients. To address this bottleneck, we propose a task-based multi-threaded method for Cholesky factorization of banded matrices with medium-sized bands. We implement our algorithm using OpenMP tasks and compare our performance with state-of-the-art libraries such as Intel MKL. Our performance measurements show a performance that is on par or better than Intel MKL (up to ~26%) for a wide range of matrix bandwidths on two different Intel CPU systems.

math.NA↗

arXiv2022

Distributed Objective Function Evaluation for Optimization of Radiation Therapy Treatment Plans

The modern workflow for radiation therapy treatment planning involves mathematical optimization to determine optimal treatment machine parameters for each patient case. The optimization problems can be computationally expensive, requiring iterative optimization algorithms to solve. In this work, we investigate a method for distributing the calculation of objective functions and gradients for radiation therapy optimization problems across computational nodes. We test our approach on the TROTS dataset -- which consists of optimization problems from real clinical patient cases -- using the IPOPT optimization solver in a leader/follower type approach for parallelization. We show that our approach can utilize multiple computational nodes efficiently, with a speedup of approximately 2-3.5 times compared to the serial version.

cs.MS↗

arXiv2021

Accelerating Radiation Therapy Dose Calculation with Nvidia GPUs

Radiation Treatment Planning (RTP) is the process of planning the appropriate external beam radiotherapy to combat cancer in human patients. RTP is a complex and compute-intensive task, which often takes a long time (several hours) to compute. Reducing this time allows for higher productivity at clinics and more sophisticated treatment planning, which can materialize in better treatments. The state-of-the-art in medical facilities uses general-purpose processors (CPUs) to perform many steps in the RTP process. In this paper, we explore the use of accelerators to reduce RTP calculating time. We focus on the step that calculates the dose using the Graphics Processing Unit (GPU), which we believe is an excellent candidate for this computation type. Next, we create a highly optimized implementation for a custom Sparse Matrix-Vector Multiplication (SpMV) that operates on numerical formats unavailable in state-of-the-art SpMV libraries (e.g., Ginkgo and cuSPARSE). We show that our implementation is several times faster than the baseline (up-to 4x) and has a higher operational intensity than similar (but different) versions such as Ginkgo and cuSPARSE.

cs.DC↗

arXiv2019

Toward Automatic Threat Recognition for Airport X-ray Baggage Screening with Deep Convolutional Object Detection

For the safety of the traveling public, the Transportation Security Administration (TSA) operates security checkpoints at airports in the United States, seeking to keep dangerous items off airplanes. At these checkpoints, the TSA employs a fleet of X-ray scanners, such as the Rapiscan 620DV, so Transportation Security Officers (TSOs) can inspect the contents of carry-on possessions. However, identifying and locating all potential threats can be a challenging task. As a result, the TSA has taken a recent interest in deep learning-based automated detection algorithms that can assist TSOs. In a collaboration funded by the TSA, we collected a sizable new dataset of X-ray scans with a diverse set of threats in a wide array of contexts, trained several deep convolutional object detection models, and integrated such models into the Rapiscan 620DV, resulting in functional prototypes capable of operating in real time. We show performance of our models on held-out evaluation sets, analyze several design parameters, and demonstrate the potential of such systems for automated detection of threats that can be found in airports.

cs.CV↗