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# TRACE

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  1. arXiv

    TRACE stops fixing the molecular neighborhood: a success/failure controller widens or narrows the search, and 80 DFT evaluations lift FePc dissolution resistance to 2.59 eV

    In open-ended molecular design, candidates are generated on demand, and the scale of the search has usually been fixed in advance by a preset similarity criterion or candidate count. TRACE makes chemical extent and candidate breadth explicit as a Tanimoto-similarity threshold and a cardinality budget, expands or contracts both with a success/failure controller, and lets a fixed fragprint Gaussian process choose what to evaluate. Across six PMO objectives under a matched 1,000-evaluation budget, TRACE has a mean top-1 AUC rank of 1.73 and a mean top-10 AUC rank of 1.27; in a closed-loop DFT campaign on FePc derivatives, 80 designed-candidate evaluations raise the computed resistance to Fe dissolution from 0.42 to 2.59 eV.

  2. arXiv

    Generalizing JTPA job-training effects to a national target: TRACE narrows the confidence interval by 60% and says whether baseline mismatch or follow-up loss is to blame

    Generalizing randomized-trial findings to a broader target population can yield distorted estimates when the trial sample is misaligned with that population. TRACE decomposes the asymptotic variance of the efficient generalizability estimator into a baseline-mismatch channel and a censoring channel, then uses a tree search to localize underrepresented subgroups and attribute each to its mechanism. In a case study generalizing the JTPA Study to U.S. JTPA-eligible adults, restricting to reliably generalizable subgroups narrows the 95% confidence interval for the refined estimand by 60%.

  3. medRxiv

    Alzheimer's cohort stops sorting patients by diagnosis alone: TRACE lifts 24-month phenotype purity 3.1 points over the strongest baseline

    TRACE maps longitudinal visit records to interpretable progression phenotypes and lets the number of phenotypes exceed the number of diagnostic classes. In the label-matched setting on the ADNI cohort it achieves the highest purity, NMI, ARI, silhouette index, accuracy and macro-F1 at the current, 12-month and 24-month horizons; at 24 months it exceeds the strongest baseline by 3.1 and 5.8 percentage points in purity and silhouette index. With the phenotype count freed, it splits a new phenotype out of the cognitively-normal- and MCI-dominant groups, one whose cognitive-scale trajectories sit in between while its hippocampal-volume trajectory coincides with the MCI group.

  4. arXiv

    No old samples, one autoencoder per class: TRACE cuts retained memory about 98% below TS-ACL

    For behavioral classes that arrive over time, TRACE stores no historical samples and never expands a shared classifier; it feeds a frozen temporal-spectral representation to a small autoencoder per class and labels by reconstruction error. Across five multivariate time-series class-incremental benchmarks it reaches 88.85% five-dataset average final accuracy with 9.17 MiB of retained memory, about 98.26% less memory than TS-ACL, the strongest analytical baseline by average accuracy, and an approximately 33.43% relative accuracy gain on GrabMyo.

  5. arXiv

    TRACE audits streaming video understanding across 1,240 records from 517 videos, finding that near-identical accuracy hides large gaps in completion, invalid output, and response timing

    TRACE introduces a condition-aware benchmark and evaluation framework for streaming video understanding that makes temporal validity, execution conditions, and operational outcomes explicit, evaluating eight publicly available models or systems in eight configurations on 1,240 records from 517 videos, and finds that nearly identical QA accuracy can mask substantial differences in completion, answer validity, and generation workload, while proactive performance separates into response quality, response delay, false alarms, and missed target windows.

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