arXiv subjects

Feng Xing

Publications and source records attributed to Feng Xing.

10 recordsLinked to original sources

arXiv2026

FrontierChallenge: Evaluating Scientific Workflow Completion

Scientific agents increasingly analyze data, execute code, and produce research artifacts, yet most benchmarks emphasize final answers, isolated programs, or a single domain. We introduce FrontierChallenge, a cross-domain benchmark comprising 300 end-to-end scientific workflows. In this paper, we release and evaluate 97 of these tasks, spanning quantum chemistry, molecular dynamics, materials characterization, analytical chemistry, life science, and electrochemistry/environment. Each task provides fixed inputs and specifies a bundle of required scientific deliverables. We evaluate twelve frontier models with three agent scaffolds. Pass Rate measures the fraction of tasks satisfying the full-completion criterion, while Avg. Score captures partial progress. Each of the best-performing configurations completed only 20 of the 97 released tasks, yielding a Pass Rate of 20.6%. Partial progress translated especially poorly into complete delivery in analytical chemistry and electrochemistry/environment: Avg. Scores reached 87.6 and 94.9, but the highest Pass Rates were only 4% and 0%. Among non-passing Claude Code trajectories, 75.5% still ended with language claiming completion. Complementary HDS6 process scores correlate strongly with task outcomes, supporting FrontierChallenge as a benchmark of Heavy Duty Solver capabilities. These findings show that neither high partial scores nor confident claims of completion reliably indicate that a scientific task has been fully delivered, highlighting the need to evaluate end-to-end workflow execution and the completeness of scientific deliverables together.

cs.AI↗

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

Halt the Hallucination: Decoupling Signal and Semantic OOD Detection Based on Cascaded Early Rejection

Efficient and robust Out-of-Distribution (OOD) detection is paramount for safety-critical applications.However, existing methods still execute full-scale inference on low-level statistical noise. This computational mismatch not only incurs resource waste but also induces semantic hallucination, where deep networks forcefully interpret physical anomalies as high-confidence semantic features.To address this, we propose the Cascaded Early Rejection (CER) framework, which realizes hierarchical filtering for anomaly detection via a coarse-to-fine logic.CER comprises two core modules: 1)Structural Energy Sieve (SES), which establishes a non-parametric barrier at the network entry using the Laplacian operator to efficiently intercept physical signal anomalies; and 2) the Semantically-aware Hyperspherical Energy (SHE) detector, which decouples feature magnitude from direction in intermediate layers to identify fine-grained semantic deviations. Experimental results demonstrate that CER not only reduces computational overhead by 32% but also achieves a significant performance leap on the CIFAR-100 benchmark:the average FPR95 drastically decreases from 33.58% to 22.84%, and AUROC improves to 93.97%. Crucially, in real-world scenarios simulating sensor failures, CER exhibits performance far exceeding state-of-the-art methods. As a universal plugin, CER can be seamlessly integrated into various SOTA models to provide performance gains.

cs.CV↗

arXiv2026

Breaking Semantic Hegemony: Decoupling Principal and Residual Subspaces for Generalized OOD Detection

While feature-based post-hoc methods have made significant strides in Out-of-Distribution (OOD) detection, we uncover a counter-intuitive Simplicity Paradox in existing state-of-the-art (SOTA) models: these models exhibit keen sensitivity in distinguishing semantically subtle OOD samples but suffer from severe Geometric Blindness when confronting structurally distinct yet semantically simple samples or high-frequency sensor noise. We attribute this phenomenon to Semantic Hegemony within the deep feature space and reveal its mathematical essence through the lens of Neural Collapse. Theoretical analysis demonstrates that the spectral concentration bias, induced by the high variance of the principal subspace, numerically masks the structural distribution shift signals that should be significant in the residual subspace. To address this issue, we propose D-KNN, a training-free, plug-and-play geometric decoupling framework. This method utilizes orthogonal decomposition to explicitly separate semantic components from structural residuals and introduces a dual-space calibration mechanism to reactivate the model's sensitivity to weak residual signals. Extensive experiments demonstrate that D-KNN effectively breaks Semantic Hegemony, establishing new SOTA performance on both CIFAR and ImageNet benchmarks. Notably, in resolving the Simplicity Paradox, it reduces the FPR95 from 31.3% to 2.3%; when addressing sensor failures such as Gaussian noise, it boosts the detection performance (AUROC) from a baseline of 79.7% to 94.9%.

cs.CV↗

arXiv2020

DADNN: Multi-Scene CTR Prediction via Domain-Aware Deep Neural Network

Click through rate(CTR) prediction is a core task in advertising systems. The booming e-commerce business in our company, results in a growing number of scenes. Most of them are so-called long-tail scenes, which means that the traffic of a single scene is limited, but the overall traffic is considerable. Typical studies mainly focus on serving a single scene with a well designed model. However, this method brings excessive resource consumption both on offline training and online serving. Besides, simply training a single model with data from multiple scenes ignores the characteristics of their own. To address these challenges, we propose a novel but practical model named Domain-Aware Deep Neural Network(DADNN) by serving multiple scenes with only one model. Specifically, shared bottom block among all scenes is applied to learn a common representation, while domain-specific heads maintain the characteristics of every scene. Besides, knowledge transfer is introduced to enhance the opportunity of knowledge sharing among different scenes. In this paper, we study two instances of DADNN where its shared bottom block is multilayer perceptron(MLP) and Multi-gate Mixture-of-Experts(MMoE) respectively, for which we denote as DADNN-MLP and DADNN-MMoE.Comprehensive offline experiments on a real production dataset from our company show that DADNN outperforms several state-of-the-art methods for multi-scene CTR prediction. Extensive online A/B tests reveal that DADNN-MLP contributes up to 6.7% CTR and 3.0% CPM(Cost Per Mille) promotion compared with a well-engineered DCN model. Furthermore, DADNN-MMoE outperforms DADNN-MLP with a relative improvement of 2.2% and 2.7% on CTR and CPM respectively. More importantly, DADNN utilizes a single model for multiple scenes which saves a lot of offline training and online serving resources.

cs.AI↗

arXiv2020

Sparse Tucker Tensor Decomposition on a Hybrid FPGA-CPU Platform

Recommendation systems, social network analysis, medical imaging, and data mining often involve processing sparse high-dimensional data. Such high-dimensional data are naturally represented as tensors, and they cannot be efficiently processed by conventional matrix or vector computations. Sparse Tucker decomposition is an important algorithm for compressing and analyzing these sparse high-dimensional data sets. When energy efficiency and data privacy are major concerns, hardware accelerators on resource-constraint platforms become crucial for the deployment of tensor algorithms. In this work, we propose a hybrid computing framework containing CPU and FPGA to accelerate sparse Tucker factorization. This algorithm has three main modules: tensor-times-matrix (TTM), Kronecker products, and QR decomposition with column pivoting (QRP). In addition, we accelerate the former two modules on a Xilinx FPGA and the latter one on a CPU. Our hybrid platform achieves $23.6 \times \sim 1091\times$ speedup and over $93.519\% \sim 99.514 \%$ energy savings compared with CPU on the synthetic and real-world datasets.

cs.DC↗

arXiv2016

Parallel numerical modeling of hybrid-dimensional compositional non-isothermal Darcy flows in fractured porous media

This paper introduces a new discrete fracture model accounting for non-isothermal compositional multiphase Darcy flows and complex networks of fractures with intersecting, immersed and non immersed fractures. The so called hybrid-dimensional model using a 2D model in the fractures coupled with a 3D model in the matrix is first derived rigorously starting from the equi-dimensional matrix fracture model. Then, it is dis-cretized using a fully implicit time integration combined with the Vertex Approximate Gradient (VAG) finite volume scheme which is adapted to polyhedral meshes and anisotropic heterogeneous media. The fully coupled systems are assembled and solved in parallel using the Single Program Multiple Data (SPMD) paradigm with one layer of ghost cells. This strategy allows for a local assembly of the discrete systems. An efficient preconditioner is implemented to solve the linear systems at each time step and each Newton type iteration of the simulation. The numerical efficiency of our approach is assessed on different meshes, fracture networks, and physical settings in terms of parallel scalability, nonlinear convergence and linear convergence.

math.NA↗

arXiv2016

Domain decomposition algorithms for the two dimensional nonlinear Schr{\"o}dinger equation and simulation of Bose-Einstein condensates

In this paper, we apply the optimized Schwarz method to the two dimensional nonlinear Schr{\"o}dinger equation and extend this method to the simulation of Bose-Einstein condensates (Gross-Pitaevskii equation). We propose an extended version of the Schwartz method by introducing a preconditioned algorithm. The two algorithms are studied numerically. The experiments show that the preconditioned algorithm improves the convergence rate and reduces the computation time. In addition, the classical Robin condition and a newly constructed absorbing condition are used as transmission conditions.

math.NA↗

arXiv2016

Parallel Vertex Approximate Gradient discretization of hybrid dimensional Darcy flow and transport in discrete fracture networks

This paper proposes a parallel numerical algorithm to simulate the flow and the transport in a discrete fracture network taking into account the mass exchanges with the surrounding matrix. The discretization of the Darcy fluxes is based on the Vertex Approximate Gradient finite volume scheme adapted to polyhedral meshes and to heterogeneous anisotropic media, and the transport equation is discretized by a first order upwind scheme combined with an Euler explicit integration in time. The parallelization is based on the SPMD (Single Program, Multiple Data) paradigm and relies on a distribution of the mesh on the processes with one layer of ghost cells in order to allow for a local assembly of the discrete systems. The linear system for the Darcy flow is solved using different linear solvers and preconditioners implemented in the PETSc and Trilinos libraries. The convergence of the scheme is validated on two original analytical solutions with one and four intersecting fractures. Then, the parallel efficiency of the algorithm is assessed on up to 512 processes with different types of meshes, different matrix fracture permeability ratios, and different levels of complexity of the fracture network.

math.NA↗

arXiv2015

Domain decomposition algorithms for two dimensional linear Schr\"odinger equation

This paper deals with two domain decomposition methods for two dimensional linear Schr{\"o}dinger equation, the Schwarz waveform relaxation method and the domain decomposition in space method. After presenting the classical algorithms, we propose a new algorithm for the free Schr{\"o}dinger equation and a preconditioned algorithm for the general Schr{\"o}dinger equation. These algorithms are studied numerically, which shows that the two new algorithms could accelerate the convergence and reduce the computation time. Besides the traditional Robin transmission condition, we also propose to use a newly constructed absorbing condition as the transmission condition.

math.NA↗