AutoREC is an open‑source Python platform that uses reinforcement learning to automatically generate equivalent circuit models (ECMs) from electrochemical impedance spectroscopy (EIS) data. The platform frames ECM generation as a Markov decision process, training a Double Deep Q‑Network agent that iteratively modifies circuit topologies based on state, actions, and model feedback. It supports end‑to‑end workflows—including EIS preprocessing, agent training, ECM generation, and visualization—and has been demonstrated on synthetic datasets and real experimental spectra from batteries, corrosion, oxygen evolution, and CO₂ reduction systems.
arXiv:2603. 23101v3 Announce Type: replace Abstract: Intelligent spectroscopy serves as a pivotal element in AI-driven closed-loop scientific discovery, functioning as the critical bridge between matter structure and artificial intelligence.
arXiv:2607. 19406v1 Announce Type: new Abstract: Structural elucidation from Nuclear Magnetic Resonance (NMR) data remains a fundamental bottleneck across chemistry, materials science, and biology.
The paper introduces a circuit‑grounded framework that links training‑dynamics‑based data valuation with mechanistic interpretability. It defines data quality along learnability, challenge, and alignment, identifies internal model circuits that control these utilities, and uses them as controllable interfaces for data generation. The authors present SAMS, a stage‑aware scheduling method that steers circuit‑guided data to match the model’s evolving optimization needs, achieving more diverse and effective data than prompt‑based baselines on multiple‑choice QA tasks.
arXiv:2504. 03711v2 Announce Type: replace-cross Abstract: Artificial intelligence (AI)-driven electronic design automation (EDA) techniques have been extensively explored for VLSI circuit design applications.
arXiv:2608. 13305v1 Announce Type: cross Abstract: Estimating the distribution of relaxation times (DRT) fromelectrochemical impedance spectroscopy (EIS) is an ill-posed inverse problem that is highly sensitive to regularisation choices.
arXiv:2605. 26343v2 Announce Type: replace Abstract: Mechanistic interpretability seeks to explain a model's behaviour by finding its circuit: the sparse subgraph of the model's computation that is causally responsible for it.
arXiv:2506. 07459v4 Announce Type: replace Abstract: Protein generative models have shown remarkable promise in protein design, yet their success rates remain constrained by reliance on curated sequence-structure datasets and by misalignment between supervised objectives and real design goals.
arXiv:2609.36679v1 Announce Type: new Abstract: Machine learning engineering (MLE) agents have made substantial progress, but learning through ML experimentation remains costly in time and computatio...
arXiv:2605. 08756v2 Announce Type: replace Abstract: Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs).
arXiv:2605. 26179v2 Announce Type: replace-cross Abstract: Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem.
arXiv:2608. 16111v1 Announce Type: cross Abstract: Retrosynthesis is a cornerstone of drug discovery and organic synthesis.
arXiv:2603. 09161v2 Announce Type: replace-cross Abstract: Learning effective netlist representations is fundamentally constrained by the scarcity of labeled datasets, as real designs are protected by Intellectual Property (IP) and costly to annotate.