Abstract:Calibrating a superconducting transmon chip is a sequential decision problem under noise, drift, and a finite budget: an expert must choose experiments, read ambiguous plots, judge fit quality, and revise stale beliefs as the chip drifts. We study whether a vision-language agent can close this loop and specialize itself to one physical device without weight updates, via three co-designed artifacts. The first is a physics-grounded simulation environment for transmon chips: calibration observables derive from circuit-quantized parameters via scqubits, with realistic flux-line distortion, wall-time-scaled and mid-scan drift, and gate leakage, concerns a toy simulator would omit; each tool call advances a modeled clock so drift accrues by wall time, not call count. The second is a vision-language agent that runs the loop end to end, calling tools, reading plots, maintaining a structured notebook, and submitting parameters without hidden truth, scored against hidden parameters and gate fidelities measured on the device. The third is gradient-free online adaptation: a reflector reads truth-free anomaly signatures from past attempts and grows a small, human-readable device note appended to the prompt, admitted by a paired-snapshot accept gate that isolates strategy improvement from drift. On a hard-tier chip under budget pressure, six iterations raised the worst-case CZ fidelity from 0.678 to 0.787 and cut its variance, reproducing at four-qubit scale; a single accepted note raised CZ fidelity from 0.678 to 0.913 on its paired snapshot. A planted-fault study confirms the note is causal, diagnosing a hardware fault truth-free, its principal value raising the failure floor and cutting variance. The agent, scoring, and reward transfer to real hardware via a measurement-backend swap; only the accept gate is a simulation affordance, reducing to a held-out-slice or repeat-and-average form.
Abstract:Performance evaluation in AI systems commonly assumes that random dataset splits produce independent and identically distributed (i.i.d.) subsets. We show that this assumption often breaks down in spatiotemporally correlated domains such as aerial surveillance, precision agriculture, and medical imaging, leading to two systematic failures: data leakage, where correlated samples span training and validation splits and inflate performance estimates, and hidden stratification, where errors on minority subpopulations are obscured by aggregate metrics. To address these issues, we propose a unified evaluation and training framework for spatially correlated data. We introduce Structure-Aware Stratified Partitioning (SASP), which constructs validation splits that reduce spatiotemporal leakage while preserving meaningful class balance, and Curriculum Distributionally Robust Optimization (CDRO), a curriculum-based relaxation of distributionally robust training that stabilizes optimization under these stricter splits. Across multiple benchmarks, this combination yields consistently improved generalization, more reliable confidence calibration, and exposes failure modes that remain hidden under conventional random-split evaluation.
Abstract:Large language model (LLM) reasoning is ephemeral: chains of thought vanish with the context window, pruned search branches leave no record, and memory buffers cannot be diffed, merged, or audited. Every other complex software process (code, infrastructure, data, experiments) is version-controlled; reasoning is not. We introduce GitOfThoughts, which stores an agent's reasoning tree as a git repository: every scored thought is a commit, scores are notes, outcomes are tags, and retrieval is "git log" over the agent's own history. This makes reasoning replayable, auditable, and mergeable across agents at near-zero engineering cost. We then ask the harder question: does memory, in any substrate, actually improve accuracy? Across five substrates (none, markdown, vector, graph, git), two benchmarks, two model scales, and pre-registered replications, the answer for novel problems is no. No memory format reliably helps, and a promising early result collapsed under its own pre-registered replication. Memory pays only above what we call the copyability threshold: when the retrieved case is a near-duplicate of the current problem (similarity >~ 0.8), accuracy jumps sharply; below it, nothing. The gain is answer retrieval, not method transfer: a 4.5x larger model doubles the near-duplicate payoff yet still cannot extract a transferable method from a worked example. The only general lever we find is test-time sampling. The case for git-as-substrate is therefore auditability, provenance, and mergeability at accuracy parity. We document a retracted result and a refuted hypothesis to model the evaluation standard we hold ourselves to.
Abstract:Vision-language models (VLMs) achieve strong singleshot spatial grounding, yet lack any mechanism to observe and correct their own predictions. We find that naively prompting a VLM to iterate over rendered visualizations of its predictions causes catastrophic failure: Acc@0.5 on referring expression comprehension collapses from 79.6% to 48.7% (a 31 percentage point drop), revealing a fundamental gap between grounding capability and self-correction ability. We propose Iterative Visual Thinking (IVT), a closed-loop framework in which the model predicts a bounding box, observes the prediction rendered on the image, and iteratively refines through visual feedback. A two-phase training recipe closes the self-correction gap: first, we exploit the base model's own predictions as realistic errors and prompt a teacher VLM to generate corrective reasoning traces, yielding supervised data without human annotation; second, we apply Group Relative Policy Optimization (GRPO) with a simple IoU reward to stabilize multi-step refinement. On a mixed benchmark spanning RefCOCOg, Ref-Adv, and Ref-L4 (505 test samples), SFT warm-up with IVT surpasses the single-shot base model on every metric: Acc@0.5 rises to 82.0% (+2.4pp), Acc@0.7 to 74.1% (+3.2pp), and Acc@0.9 to 48.3% (+2.8pp). GRPO further reduces per-step IoU degradation by 5x, stabilizing the refinement trajectory. All training uses only 2,400 samples on a single GPU, demonstrating that spatial self-correction is a learnable capability that can be instilled at modest scale.
Abstract:Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. This is relevant for the chemical sciences, which face the problem of small and diverse datasets that are frequently in the form of text. LLMs have shown promise in addressing these issues and are increasingly being harnessed to predict chemical properties, optimize reactions, and even design and conduct experiments autonomously. However, we still have only a very limited systematic understanding of the chemical reasoning capabilities of LLMs, which would be required to improve models and mitigate potential harms. Here, we introduce "ChemBench," an automated framework designed to rigorously evaluate the chemical knowledge and reasoning abilities of state-of-the-art LLMs against the expertise of human chemists. We curated more than 7,000 question-answer pairs for a wide array of subfields of the chemical sciences, evaluated leading open and closed-source LLMs, and found that the best models outperformed the best human chemists in our study on average. The models, however, struggle with some chemical reasoning tasks that are easy for human experts and provide overconfident, misleading predictions, such as about chemicals' safety profiles. These findings underscore the dual reality that, although LLMs demonstrate remarkable proficiency in chemical tasks, further research is critical to enhancing their safety and utility in chemical sciences. Our findings also indicate a need for adaptations to chemistry curricula and highlight the importance of continuing to develop evaluation frameworks to improve safe and useful LLMs.