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Qiang Xu

Publications and source records attributed to Qiang Xu.

At least 19 recordsLinked to original sources

Delivered, Not Used: Evaluating Agent Memory at Its Point of Use

Task success, retrieval quality, and cost do not show whether an LLM agent used a delivered memory or what followed from that use. We introduce MemUse, which evaluates memory at its point of use in recorded trajectories: each memory delivery is compared with what the agent could already see and followed through the agent's later actions and their consequences. An agentic judge rates each delivered entry's relevance, accuracy, novelty, influence, and observed effect; programmatic checks enforce complete reading of cited evidence, and fixed rules aggregate the ratings into verdicts linked to memory histories and delivery cost. On 8,000 SWE-bench Verified episodes from three memory systems, resolve rates stay within 0.4 percentage points of a no-memory baseline, yet MemUse shows that most delivered entries were irrelevant, most relevant entries went unused, and in two systems most deliveries restated content the agent could still see. It also surfaces effects that outcomes hide: 23.2\% of episodes with beneficial memory use still failed, and 5 of 16 with harmful use still succeeded.

cs.AI↗

SELF: A Robust Singular Value and Eigenvalue Approach for LLM Fingerprinting

Safeguarding the Intellectual Property (IP) of Large Language Models (LLMs) against model theft represents a critical challenge in contemporary AI research. Although fingerprinting is essential for establishing forensic evidence for model derivation, existing methods are susceptible to false claim attacks, weight manipulations, or high false positive rates, undermining their utility. To overcome these limitations, we propose SELF, \rev{a novel intrinsic weight-based fingerprinting scheme tailored for robust IP forensics via adversarial model lineage verification}. SELF eliminates dependency on input and inherently resists false claims, achieving robust \rev{provenance detection} through unique, scalable and transformation-invariant fingerprint extraction via singular value and eigenvalue decomposition of LLM attention weights. Experimental results demonstrate that SELF maintains high IP infringement detection accuracy while significantly outperforming state-of-the-art baselines in reducing false positives and showing strong robustness against various downstream modifications, including quantization, pruning, and fine-tuning attacks. Our code is available at https://github.com/HanxiuZhang/SELF_v4.

cs.CR↗

DiscoveryRSI: Recursively Learning to Discover Valuable Hypotheses

Scientific discovery requires developing worthwhile hypotheses into practical investigations, yet learning from this evolving research process remains challenging. We introduce an operational definition of valuable and testable research hypotheses: evidence-grounded claims about consequential uncertainties, coupled with feasible investigations, explicit decision criteria, and alternative explanations. Our DiscoveryRSI framework develops hypothesis trees through multi-agent evolutionary search, compiles selected investigations into executable Harbor tasks, and recursively learns through three mechanisms: hypothesis credit optimization attributes scientific assessments to documented research contributions; harness replay identifies productive strategies and recurring failures to refine research workflows; and rediscovery applies accepted improvements to new investigations, generating further experience for subsequent learning. We also introduce DFM-Bench, which provides comprehensive assessment of hypothesis quality and cumulative research progress at the levels of hypotheses, revisions, development paths and research runs. Across four life-science domains, automated evaluation shows that hypothesis quality rises from 4.86 for the base model to 5.39 after two rounds of self-improvement, with the large gains in falsifiability and data resolvability. We further validate hypothesis quality through expert review, comparing our DiscoveryRSI-27B with other research agents. Preliminary human assessments show that DiscoveryRSI-27B scores higher than GPT-6 Luna on hypothesis importance and whether claims are plausible and evidence-bounded. DiscoveryRSI-27B achieved a 6.3% rate of hypothesis correspondence with research published after the model cutoff, largely outperform GPT-6 with 2.5% and Claude Opus 5 with 2.3%, while delivering greater human-rated improvement along research paths.

cs.CL↗

GUMPIM: Unitary and Malleable Memory for Processing-in-Memory with Guaranteed PIM Pages

DRAM-based Processing-in-Memory (PIM) addresses the "memory wall" by executing computations directly inside main memory. However, memory interleaving and virtual memory limit contiguous data size visible to PIM units, constraining PIM task granularity. To mitigate this, existing PIM systems drastically isolate PIM memory or disable memory interleaving. These design choices, however, decrease the CPU memory bandwidth and introduce extra data transfer, leading to an additional "system memory wall" that must be resolved to realize PIM's full potential. In this work, we propose GUMPIM, a PIM system that allows interleaved CPU pages and non-interleaved PIM pages to coexist in a Unitary and Malleable memory space with Guaranteed PIM page allocation. GUMPIM enables zero-copy during PIM task offloading and maintains CPU memory bandwidth while ensuring low PIM offloading overhead. First, we propose a dual-track memory management mechanism consisting of independent page allocation and address translation for CPU and PIM pages. Second, we design GUMPIM interface hardware on PIM-enabled DRAMs to provide a dynamic address mapping for the different data layouts of CPU and PIM pages. Third, we propose a PIM-assisted page migration mechanism that transparently migrates pages while preserving CPU access bandwidth, thereby enabling guaranteed and accelerated PIM page allocation. GUMPIM requires no changes to commodity DRAM standards; all hardware modifications are limited to the DRAM side, ensuring full compatibility with existing CPUs and enabling immediate deployment on current HBMx- and LPDDRx-based PIM platforms. Our results show only <0.1% performance degradation for CPU workloads on GUMPIM. For PIM workloads, GUMPIM reduces memory allocation and CPU-part computation times by 2.7x and 4.93x, respectively, yielding an end-to-end 2.3x speedup over a state-of-the-art baseline system.

cs.AR↗

ARES: a plane-wave density-functional-theory code in Rust

ARES (Ab initio atomic mateRial modEling Software at JLU) is a plane-wave density-functional-theory (DFT) code written entirely in Rust as a layered 22-crate workspace. It supports norm-conserving pseudopotentials and the projector augmented-wave (PAW) method with the local-density approximation (LDA) and Perdew-Burke-Ernzerhof (PBE) functionals, Γ-only and explicit k-point sampling, smearing and mixing, forces, stress, relaxation, band structures, densities of states (DOS) and dispersion corrections; execution is serial or MPI-distributed over k-point pools, band groups and plane-wave rows. The code's distinguishing engineering choice is its validation apparatus. Every numerical component is checked against Quantum ESPRESSO driven from the same physical and numerical inputs, and the comparison is organized as numbered fixtures kept in the repository whose reference data is regenerated by a script instead of being captured once. On six materials spanning a semiconductor, three metals and two two-dimensional systems, band energies within one electronvolt of the Fermi level agree with the reference to a median below 0.4 meV. The pseudopotentials the code reads are validated against all-electron reference data as well: the median delta factor is 0.696 meV/atom over all 65 paired elements. Restrictions are stated with the capabilities: two functionals, no spin-polarized or spin-orbit path, a stress implementation with an explicit scope, and no accelerator execution.

cond-mat.mtrl-sci↗

Accurately Generalizing Deep-Learning Hamiltonian Methods to Plane-Wave Density Functional Theory

Deep neural networks that predict density functional theory (DFT) Hamiltonians from material structures offer a route to efficient electronic-structure calculations. However, extending localized atomic-orbital (AO) Hamiltonian learning to plane-wave (PW) calculations with hybrid functionals requires a compact AO representation that preserves the effects of nonlocal operators. Here we propose a projectability-guided construction of nonorthogonal AO Hamiltonians from a small, selected set of PW eigenstates and eigenvalues. High-projectability states are retained, and selected higher-energy states complete the AO subspace, avoiding an empirical shift and its arbitrary contribution to the learning targets. Because the construction uses PW eigenstates and eigenvalues, it incorporates nonlocal contributions present in the reference calculation without explicitly reconstructing their AO matrix elements. Benchmarks for MoS2 and sodium phases show accurate reproduction of PW bands with smaller AO bases than real-space reconstruction. The resulting PBE and HSE Hamiltonians can be learned by equivariant neural networks, connecting PW reference calculations with electronic-structure prediction. This approach broadens the range of PW DFT calculations available for AO Hamiltonian learning and enables compact, accurate training targets for developing more widely applicable electronic-structure models.

cond-mat.mtrl-sci↗

ECHO: Correcting Time Series Foundation Model Forecasts with Historical Analogues and Errors

Time Series Foundation Models (TSFMs) provide general-purpose forecasting capabilities, yet their forecasts can remain misaligned with the temporal characteristics of a target domain. This motivates lightweight forecast correction even when only black-box access to the TSFM is available. Our key observation is that two forms of historical information provide complementary correction signals: historical analogues reveal how similar contexts evolved, while past forecast errors reveal a TSFM's characteristic deviations in the target domain. Based on this observation, we propose ECHO, a black-box forecast correction framework that learns from both sources. ECHO uses AnalogE to assess retrieved historical analogues together with the current context and base forecast, learning transferable corrections through cross-domain pretraining. In parallel, RecentE learns target-specific residual corrections from past forecast errors and refines them as causally available feedback accumulates. ECHO dynamically combines the two corrections according to their observed forecasting performance. Across 5 representative TSFMs and 9 real-world datasets, ECHO reduces MSE in all 45 backbone--dataset settings, yielding an average relative reduction of 9.26\% in macro-average MSE. Its gains also extend to long-horizon forecasting.

cs.LG↗

Fundamental solution expansions in stochastic homogenization of parabolic systems with time-dependent coefficients

This paper studies fundamental solutions of uniformly parabolic systems with stationary random coefficients depending on space and time. Under ergodicity and local regularity, we establish quenched Gaussian bounds for the kernel and its spatial derivatives, with stationary random prefactors. A spectral gap assumption gives moments of every finite order for these prefactors and hence annealed Gaussian bounds. We also prove quantitative two-scale expansions for the kernel, its spatial gradient, and its mixed spatial derivative. The error estimates hold in every finite probability moment and retain Gaussian decay. Their dimension-dependent growth is described by a corrector weight, with a single additional logarithmic factor in the derivative estimates. The proofs combine large-scale regularity, extended correctors, weighted estimates, and a parabolic weak-norm estimate. The latter supplies the passage from deterministic pairings to local annealed estimates without interchanging expectation and a supremum over test functions. The mixed-derivative estimate builds on the gradient expansion and does not introduce a further logarithmic loss.

math.AP↗

A Unified Scaling Law for Time Series Foundation Models

We develop a Unified Scaling Law and a Unified Theory of Time Series Learning to understand how model capacity and historical information support forecasting. Across different lookback lengths and forecast horizons, we analyze 18,768 experimental cells from 21 checkpoints on 23 dataset-frequency tasks spanning six domains. Our empirical methodology integrates local resource relations into a parsimonious, fitted five-parameter law: capacity gains increase with history, context gains diminish toward saturation, and horizon effects enter as a common shift. Fitted without Toto 2.0, the law predicts its horizon-averaged capacity-scaling curves with mean absolute percentage errors of 1.09% and 1.50% at input lengths 2048 and 4096. To understand how history supports prediction, our learning theory uses Gaussian regression to analyze rule identification and predictive capability. We hypothesize that full-shot models learn by accumulating information in weights, while frozen time series foundation models (TSFMs) use history by extracting information through activations. Matched-history comparisons establish the predictive value of additional history. Controlled parameter exchanges and activation interventions provide evidence that history-derived rule information can be retained, reused across queries, and used to recover a contribution to long-context prediction. Together, these findings inform capacity scaling, context allocation, and the development of models that retain and apply historical rules. Code and main results are available at https://github.com/Fifthky/UniScale.

cs.LG↗

Learning the Context of Errors: Black-Box Online Adaptation of Time Series Foundation Models

The rapid evolution of Time Series Foundation Models (TSFMs) has advanced zero-shot forecasting across diverse domains. Inspired by the current form of Large Language Models, future TSFMs may be offered as commercialized, closed-source API services. However, many existing online adaptation methods still rely on white-box access for parameter fine-tuning or gradient backpropagation. This paradigm mismatch raises a question: In black-box online adaptation for TSFMs, what should we learn? We answer this with an insight: the predictive errors of the base model are conditioned on both the input and output of the base model (i.e., the context of errors). To validate this insight, we propose ORCA (Online Residual Contextual Adaptation). We conduct extensive experiments across 5 state-of-the-art TSFMs and 8 datasets to demonstrate the effectiveness of our approach. Furthermore, through ablation studies, we quantitatively analyze the impact of different adapter learning hypotheses on the final adaptation performance in black-box online adaptation. Code available at https://github.com/Fifthky/ORCA.

cs.LG↗

RED: Reconstruction Evolution Dynamics for Generalizable AI-Generated Image Detection

The rapid evolution of image generators calls for forensic cues that generalize beyond known generation mechanisms. Existing detectors often rely on static image representations or endpoint reconstruction discrepancies, leaving the evolution of intermediate reconstruction stages underexplored. We observe that the relative token predictability of real and generated images can reverse across reconstruction scales, suggesting that intermediate stages may expose forensic evidence overlooked by endpoint comparisons. Motivated by this observation, we propose RED (Reconstruction Evolution Dynamics), a framework that captures transferable forensic cues from coarse-to-fine reconstruction evolution. To our knowledge, RED is the first framework to use scale-wise token predictability to guide forensic evidence aggregation across intermediate reconstruction states. It represents the reconstruction trajectory produced by a frozen multiscale VQ-VAE in the shared feature space of a frozen CLIP encoder. To connect the observed predictability variations with visual evidence, RED learns image-adaptive stage weights from scale-wise token negative log-likelihoods provided by a frozen VAR model. A cross-stage evidence aggregation module then jointly models the original-image representation and the weighted reconstruction features, capturing complementary forensic cues through interactions along the reconstruction trajectory. Experiments on six diverse benchmarks demonstrate that RED achieves the highest average accuracy of 92.5\% and average precision of 97.5\% among the evaluated methods. Further evaluations show strong robustness to common image degradations, supporting the value of reconstruction evolution for generalizable AI-generated image detection. The code will be made publicly available upon acceptance of this paper.

cs.CV↗

Inspire: Benchmarking Scientific Literature Search for Open Research Problems

Scientific literature search often begins with an open research problem rather than a known target paper or a fixed candidate set. We introduce INSPIRE, a benchmark for evaluating agents that search prior literature to make progress on solution-redacted research problems. Each instance pairs a research brief with a target-specific cutoff three months before a later paper and evaluates ranked outputs against graded cited antecedents from that paper's realized research lineage. Search proceeds over an open corpus, while the identity of the target paper and membership of its cited antecedents remain hidden from the agent. Beyond end-to-end retrieval quality, INSPIRE uses logged search trajectories to distinguish three coupled stages: resource exposure, whether useful antecedents are surfaced during search; selection, whether exposed antecedents are retained; and ranking, how effectively retained papers are ordered. Across 476 computer-science targets under a shared search interface and budget, the strongest evaluated agent achieves 0.284 nDCG@10. Results show that current agents more readily recover an isolated antecedent than assemble a broader portfolio of relevant prior work. The stagewise analysis identifies resource exposure as the largest observed bottleneck, with further losses in selection and ranking. We additionally construct replay-valid hindsight demonstrations and show that they improve held-out search without changing test-time information, establishing that the benchmark provides an actionable learning signal. INSPIRE therefore enables both end-to-end comparison and stage-resolved diagnosis in a setting where the agent must construct its own working criterion of relevance.

cs.IR↗

When Tomorrow Becomes Today: Self-Evolving Policies for Agentic Time-Series Forecasting

Agentic time series forecasting concerns systems whose underlying mechanisms evolve, making the relative effectiveness of numerical models, reasoning strategies, and intervention rules inherently time-varying. Consequently, a time series agent must adapt the forecasts it produces and the orchestration policy that determines which components to trust and how to coordinate them. The deployment process naturally provides supervision for this adaptation as forecast horizons elapse and realized targets reveal the effectiveness of earlier decisions. Committing all numerical expert forecasts and candidate agent paths before target observation allows each realized outcome to evaluate the entire alternative set, providing delayed feedback without additional annotation. However, existing time series agents primarily incorporate prior experience through forecast refinement, reflection, or retrieval, without systematically converting realized outcomes into persistent updates to the joint orchestration policy governing later origins. To exploit this delayed feedback systematically, we introduce TimEvolve, a frozen-backbone time series agent that converts each realized outcome into persistent joint updates of expert trust, agent path selection, and intervention strength. A temporally ordered predict, reveal, and update protocol applies this feedback to subsequent forecasts. Experiments across eight Time-MMD domains show that TimEvolve achieves the best average MSE and MAE ranks among fifteen methods and the lowest errors on both metrics in seven domains. These results demonstrate the value of learning forecasting policies from the futures encountered during deployment.

cs.LG↗

GNN-based Path-aware multi-view Circuit Learning for Technology Mapping

Traditional technology mapping suffers from systemic inaccuracies in delay estimation due to its reliance on abstract, technology-agnostic delay models that fail to capture the nuanced timing behavior behavior of real post-mapping circuits. To address this fundamental limitation, we introduce GPA(graph neural network (GNN)-based Path-Aware multi-view circuit learning), a novel GNN framework that learns precise, data-driven delay predictions by synergistically fusing three complementary views of circuit structure: And-Inverter Graphs (AIGs)-based functional encoding, post-mapping technology emphasizes critical timing paths. Trained exclusively on real cell delays extracted from critical paths of industrial-grade post-mapping netlists, GPA learns to classify cut delays with unprecedented accuracy, directly informing smarter mapping decisions. Evaluated on the 19 EPFL combinational benchmarks, GPA achieves 19.9%, 2.1% and 4.1% average delay reduction over the conventional heuristics methods (techmap, MCH) and the prior state-of-the-art ML-based approach SLAP, respectively-without compromising area efficiency.

cs.ET↗

Fidel-TS: A High-Fidelity Multimodal Benchmark for Time Series Forecasting

The evaluation of time series forecasting models is hindered by a lack of high-quality benchmarks, leading to overestimated assessments of progress. Existing datasets suffer from issues ranging from small-scale, low-frequency, pre-training data contamination in unimodal designs to the temporal and description leakage prevalent in early multimodal designs. To address this, we formalize the core principles of high-fidelity benchmarking, focusing on data sourcing integrity, leak-free design, and structural clarity. We introduce Fidel-TS, a new large-scale benchmark built from these principles. Our experiments reveal the limitations of prior benchmarks and the potential discrepancies in model evaluation, providing new insights into multiple existing unimodal and multimodal forecasting models and LLMs across various evaluation tasks.

cs.LG↗

LevelSyn: Physical-Aware Logic Synthesis via Level-Asynchronous Graph Neural Networks

As integrated circuit technology scales into the nanometer regime, the traditional disconnect between logic synthesis and physical design has led to significant PPA (Power, Performance, and Area) degradation and prolonged design closure cycles. Traditional logic synthesis relies on non-physical Wire Load Models (WLMs), while recent spectral-based placement predictors often neglect the inherent hierarchical logic depth and signal flow of netlists, which leads to low-fidelity spatial estimations. To bridge this gap, we propose LevelSyn, a novel physical-aware logic synthesis framework that integrates hierarchical representation learning with a wirelength-driven optimization engine. At its core, LevelSyn leverages a level-asynchronous Graph Neural Network (GNN) to predict high-fidelity gate coordinates by capturing the structural and directional semantics of And-Inverter Graphs (AIGs). To handle industrial-scale designs, a level-aligned subgraph partitioning strategy is introduced to eliminate memory bottlenecks while preserving local logical dependencies. These spatial insights are seamlessly integrated into a newly developed physical-informed synthesis engine within the Berkeley ABC framework. Experimental results on the EPFL benchmark suite demonstrate that LevelSyn significantly outperforms state-of-the-art (SOTA) methods, achieving an average power reduction of 6.89\% and a timing delay improvement of 27.48\%. Furthermore, post-place-and-route validation shows a 99.59\% reduction in design rule check (DRC) violations, highlighting its effectiveness in accelerating design convergence.

cs.AR↗

ReactBench: A Benchmark for Topological Reasoning in MLLMs on Chemical Reaction Diagrams

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and cyclic dependencies, their reasoning capabilities degrade sharply, even on tasks as basic as counting endpoints. Existing benchmarks fail to probe this gap, focusing on semantic comprehension rather than structural reasoning. We introduce ReactBench, a benchmark that reveals fundamental limitations in structural reasoning through chemical reaction diagrams. These real-world scientific diagrams offer an ideal testbed because they naturally span diverse structures from linear chains to cyclic graphs, while requiring both precise local recognition and coherent global reasoning. Our benchmark comprises 1,618 expert-annotated QA pairs across four hierarchical task dimensions. Extensive evaluation across 24 MLLMs reveals a significant performance gap exceeding 30% between anchor-based tasks and holistic structural reasoning tasks. Controlled ablations confirm this bottleneck lies in reasoning, not perception. These findings expose a fundamental deficit in structural understanding and establish directions for advancing visual reasoning.

cs.AI↗

Beyond Flat Netlist: Hierarchical Graph Representation Learning for Scalable Analysis of Sequential Circuits

Circuit Representation Learning (CRL) offers a powerful paradigm to guide and optimize core Electronic Design Automation (EDA) tasks, but its practical adoption is hindered by the immense scale of industrial netlists and a failure to explicitly model register-level temporal dynamics. To overcome these barriers, we introduce DeepSeq3, a novel hierarchical framework that abstracts circuits into a two-level representation: fine-grained combinational subgraphs partitioned by flip-flops (FFs), and a high-level Super-Node Graph (SNG) that models the register-transfer structure. A dual Graph Neural Network (GNN) architecture learns representations at both levels, capturing local Boolean logic and global state transitions. Crucially, we introduce a state-centric pre-training scheme that predicts the reachability between FF states, endowing the model with a deep understanding of temporal behavior. Demonstrated on large-scale benchmarks, DeepSeq3's approach yields superior scalability and richer representations, reducing bounded model checking (BMC) solving time by 18% while guaranteeing correctness.

cs.LG↗