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Lei Gu

Publications and source records attributed to Lei Gu.

At least 19 recordsLinked to original sources

Human-in-the-Loop Multi-Agent Ventilator Decision Support with Contextual Bandit Preference Learning

Ventilator decision support requires sequential decisions that track evolving physiology and disease trajectories while respecting safety boundaries and clinician specific tuning styles. Rule based approaches rarely generalize personalization, and end to end reinforcement learning or single large language model systems remain difficult to control and audit. We propose the Ventilator Decision Support System (VDSS), a human in the loop multi agent framework that coordinates modular decision components through contract driven structured interfaces and produces traceable evidence for review. VDSS performs online preference adaptation with a contextual bandit, updating clinician specific preferences from the final accepted decision at each adjustment cycle and using them to guide subsequent recommendations. Structured rejection feedback triggers targeted replanning to reduce unproductive iterations and improve interaction stability. Retrospective ICU trajectory replay with expert review indicates higher recommendation acceptability and fewer interaction rounds to reach an acceptable plan, supporting clinically deployable human AI collaboration.

cs.AI

Augmenting Clinical Decision-Making with an Interactive and Interpretable AI Copilot: A Real-World User Study with Clinicians in Nephrology and Obstetrics

Clinician skepticism toward opaque AI hinders adoption in high-stakes healthcare. We present AICare, an interactive and interpretable AI copilot for collaborative clinical decision-making. By analyzing longitudinal electronic health records, AICare grounds dynamic risk predictions in scrutable visualizations and LLM-driven diagnostic recommendations. Through a within-subjects counterbalanced study with 16 clinicians across nephrology and obstetrics, we comprehensively evaluated AICare using objective measures (task completion time and error rate), subjective assessments (NASA-TLX, SUS, and confidence ratings), and semi-structured interviews. Our findings indicate AICare's reduced cognitive workload. Beyond performance metrics, qualitative analysis reveals that trust is actively constructed through verification, with interaction strategies diverging by expertise: junior clinicians used the system as cognitive scaffolding to structure their analysis, while experts engaged in adversarial verification to challenge the AI's logic. This work offers design implications for creating AI systems that function as transparent partners, accommodating diverse reasoning styles to augment rather than replace clinical judgment.

cs.HC

Auditing medical multi-agent AI reveals risks of false consensus

Large language models are increasingly being assembled into medical multi-agent systems that emulate multidisciplinary consultation through specialist roles, peer review and consensus formation. In clinical decision support, however, apparent consensus is not enough. Clinicians also need to know whether agents checked the evidence, addressed disagreement and kept uncertainty visible. Current evaluations largely score final accuracy, leaving the safety of the collaborative process untested. Here we introduce MedAgentAudit, a clinically grounded workflow audit framework for diagnosing and quantifying collaborative failure modes in medical multi-agent systems. From 3,600 execution logs, we derive an expert-validated taxonomy of ten recurrent failures spanning task comprehension, collaborative discussion, and synthesis and decision-making. We then deploy an expert-validated automated auditor as non-interventional probes across 14,400 cases, covering six multi-agent architectures, six medical text and vision datasets, and four large language model settings per modality. Across systems, collaboration yields uneven accuracy gains and frequent process failures. Unsupported observations affect 16.63% of cases and propagate downstream. In discussion, agents repeat initial views in 98.42% of cases rather than re-examining evidence, and fail to activate specialist reasoning in 42.73%. During synthesis, final answers often substitute authority or majority count for evidence checking, showing authority bias in 28.76% (rising from 35.30% to 68.75% across rounds), self-contradiction in 18.53%, contradiction neglect in 5.48% and minority suppression in 5.11%. MedAgentAudit reframes medical AI evaluation from output scoring to process-level safety and accountability, providing a practical foundation for transparent, auditable and clinician-supervised agentic systems in medicine.

cs.CL

HealthFlow: A Self-Evolving AI Agent with Meta Planning for Autonomous Healthcare Research

The rapid proliferation of scientific knowledge presents a grand challenge: transforming this vast repository of information into an active engine for discovery, especially in high-stakes domains like healthcare. Current AI agents, however, are constrained by static, predefined strategies, limiting their ability to navigate the complex, evolving ecosystem of scientific research. This paper introduces HealthFlow, a self-evolving AI agent that overcomes this limitation through a novel meta-level evolution mechanism. HealthFlow autonomously refines its high-level problem-solving policies by distilling procedural successes and failures into a durable, structured knowledge base, enabling it to learn not just how to use tools, but how to strategize. To anchor our research and provide a community resource, we introduce EHRFlowBench, a new benchmark featuring complex health data analysis tasks systematically derived from peer-reviewed scientific literature. Our experiments demonstrate that HealthFlow's self-evolving approach significantly outperforms state-of-the-art agent frameworks. This work offers a new paradigm for intelligent systems that can learn to operationalize the procedural knowledge embedded in scientific content, marking a critical step toward more autonomous and effective AI for healthcare scientific discovery.

cs.AI

Tensor network algorithm to solve polaron impurity problems

The polaron problem is a very old problem in condensed matter physics that dates back to the thirties, but still remain largely unsolved today, especially when electron-electron interaction is taken into consideration. The presence of both electron-electron and electron-phonon interactions in the problem invalidates most existing numerical methods, either computationally too expensive or simply intractable. The continuous time quantum Monte Carlo (CTQMC) methods could tackle this problem, but are only effective in the imaginary-time axis. In this work we present a method based on tensor network and the path integral formalism to solve polaron impurity problems. As both the electron and phonon baths can be integrated out via the Feynman-Vernon influence functional in the path integral formalism, our method is free of bath discretization error. It can also flexibly work on the imaginary, Keldysh, and the L-shaped Kadanoff contour. In addition, our method can naturally resolve several long-existing challenges: (i) non-diagonal hybridization function; (ii) measuring multi-time correlations beyond the single particle Green's functions. We demonstrate the effectiveness and accuracy of our method with extensive numerical examples against analytic solutions, exact diagonalization and CTQMC. We also perform full-fledged real-time calculations that have never been done before to our knowledge, which could be a benchmarking baseline for future method developments.

quant-ph

JanusDNA: A Powerful Bi-directional Hybrid DNA Foundation Model

Large language models (LLMs) have revolutionized natural language processing and are increasingly applied to other sequential data types, including genetic sequences. However, adapting LLMs to genomics presents significant challenges. Capturing complex genomic interactions requires modeling long-range dependencies within DNA sequences, where interactions often span over 10,000 base pairs, even within a single gene, posing substantial computational burdens under conventional model architectures and training paradigms. Moreover, standard LLM training approaches are suboptimal for DNA: autoregressive training, while efficient, supports only unidirectional understanding. However, DNA is inherently bidirectional, e.g., bidirectional promoters regulate transcription in both directions and account for nearly 11% of human gene expression. Masked language models (MLMs) allow bidirectional understanding but are inefficient, as only masked tokens contribute to the loss per step. To address these limitations, we introduce JanusDNA, the first bidirectional DNA foundation model built upon a novel pretraining paradigm that combines the optimization efficiency of autoregressive modeling with the bidirectional comprehension of masked modeling. JanusDNA adopts a hybrid Mamba, Attention and Mixture of Experts (MoE) architecture, combining long-range modeling of Attention with efficient sequential learning of Mamba. MoE layers further scale model capacity via sparse activation while keeping computational cost low. Notably, JanusDNA processes up to 1 million base pairs at single nucleotide resolution on a single 80GB GPU. Extensive experiments and ablations show JanusDNA achieves new SOTA results on three genomic representation benchmarks, outperforming models with 250x more activated parameters. Code: https://github.com/Qihao-Duan/JanusDNA

cs.LG

Extended Hybridization Expansion Solver for Impurity Models with Retarded Interactions

We extend the continuous-time hybridization expansion solver to a general form, where the hybridization function and retarded interaction are treated on equal footing. Correlation functions can now be directly obtained via functional derivatives with respect to the bosonic propagators, similar to the measurement of Green's functions. We devise a combinatorial scheme of measuring the correlation function, whose efficiency partially emulates that of the Green's function measurement. The algorithm and numerical methods are validated through application to an impurity model involving both electron-phonon coupling and exchange interactions, a case where the previous hybridization expansion algorithm is not applicable. Our improvement of the hybridization expansion solver promotes its applicability in studies of electron-phonon coupling, the extended dynamical mean field theory, and the dual boson method.

cond-mat.str-el

Coercivity Mechanisms of Single-Molecule Magnets

Magnetic hysteresis has become a crucial aspect for characterizing single-molecule magnets, but the comprehension of the coercivity mechanism is still a challenge. By using analytical derivation and quantum dynamical simulations, we reveal fundamental rules that govern magnetic relaxation of single molecule magnets under the influence of external magnetic fields, which in turn dictates the hysteresis behavior. Specifically, we find that energy level crossing induced by magnetic fields can drastically increase the relaxation rate and set a coercivity limit. The activation of optical-phonon-mediated quantum tunneling accelerates the relaxation and largely determines the coercivity. Intra-molecular exchange interaction in multi-ion compounds may enhance the coercivity by suppressing key relaxation processes. Unpaired bonding electrons in mixed-valence complexes bear a pre-spin-flip process, which may facilitate magnetization reversal. Underlying these properties are magnetic relaxation processes modulated by the interplay of magnetic fields, phonon spectrum and spin state configuration, which also proposes a fresh perspective for the nearly centurial coercive paradox.

cond-mat.mtrl-sci

Origins of anomalously low Raman exponents in single-molecule magnets

The Raman exponent of single-molecular magnetic relaxation may take various unexpected values because of rich phonon spectrum and spin-phonon coupling of molecular crystals. We systematically examine the origins of different abnormalities, and clarify misunderstandings in the past, particularly the appropriateness of the fitting procedures for the exponents. We find that exponential laws raised by optical phonons can yield spurious power laws with low exponents. This observation indicates long-standing misunderstandings for origins of low Raman exponents in a large bulk of single-molecule magnets. Resulting from spin-lattice coupling with optical modes, presence of these exponents suggests the importance of the local dynamical environment for the magnetic relaxation in this regime.

cond-mat.mtrl-sci

Slow Spin Relaxation in Single Endohedral Fullerene Molecules

Well-protected magnetization, tunable quantum states and long coherence time are desired for the use of magnetic molecules in spintronics and quantum information technologies. In this work, endohedral fullerene molecules M@C28 with different transition metal cores were explored through systematic first-principles calculations and spin dynamics analyses. Many of them have stable magnetization, giant magnetic anisotropy energy and bias-tunable structure. In particular, some of them may have coherence time up to several milliseconds for their quantum spin states at high temperature (~10K) after full consideration of spin-vibration couplings. These results suggest that these M@C28 provide a rich pool for the development of single-molecule magnets, magnetic molecular junctions, and molecular qubits.

cond-mat.mtrl-sci

Origins of Slow Magnetic Relaxation in Single-Molecule Magnets

Exponential and power law temperature dependences are widely used to fit experimental data of magnetic relaxation time in single molecular magnets. We derived a theory to show how these rules arise from the underling relaxation mechanisms and to clarify the conditions for their occurrence. The theory solves the puzzle of lower-than-expected Orbach barriers found in recent experiments, and elucidates it as a result of the Raman process in disguise. Our results highlight the importance of reducing the rate of direct tunneling between the ground state doublet so as to achieve long time coherence in magnetic molecules. To this end, large spin and small transverse magnetic anisotropy can reduce magnitude of the transition operator, and rigid ligands may weaken the spin-phonon coupling in that they raise the energy of vibrational modes and better screen the acoustic phonons.

cond-mat.mes-hall

Giant magnetic anisotropy energy and long coherence time of uranium substitution on defected Al2O3(0001)

Nanomagnets with giant magnetic anisotropy energy and long coherence time are desired for various technological innovations such as quantum information procession and storage. Based on the first-principles calculations and model analyses, we demonstrate that a single uranium atom substituting Al on the Al2O3(0001) surface may have high structural stability and large magnetic anisotropy energy up to 48 meV per uranium atom. As the magnetization resides in the localized f-shell and is not much involved in chemical bonding with neighbors, long coherence time up to ~1.6 mS can be achieved for the quantum spin states. These results suggest a new strategy for the search of ultrasmall magnetic units for diverse applications in the quantum information era.

cond-mat.mtrl-sci

Transition-metal phthalocyanine monolayers as new Chern insulators

To explore new materials for the realization of the quantum anomalous Hall effect (QAHE), we studied electronic, magnetic and topological properties of transition-metal phthalocyanine (TMPc) monolayers in a square lattice. Many of them have large topologically nontrivial band gaps and integer Chern numbers. In particular, the Fermi level of MoPc lies right in the band gap (Eg=8.1 meV) and has large magnetic anisotropy energy (MAE=2.0 meV per Mo atom) and a Curie temperature of 16 K, showing its usefulness for applications. The presence of topologically protected edge state in a MoPc nanoribbon further confirms it as a new two-dimensional topological insulator. This much widens the search of QAHE materials for the design of quantum devices.

cond-mat.mtrl-sci

Possible Realization and Protection of Valley-Polarized Quantum Hall Effect in Mn/WS2

By using the first-principles calculations and model analyses, we found that the combination of defected tungsten disulfide monolayer and sparse manganese adsorption may give a KK` valley spin splitting up to 210 meV. This system also has a tunable magnetic anisotropy energy, a clean band gap, and an appropriate band alignment, with the Fermi level sitting right above the top of valence bands at the K-valleys. Therefore, it can be used for the realization of the valley-polarized anomalous Hall effect and for the exploration of other valley related physics without using optical methods. A protective environment can be formed by covering it with a hexagonal BN layer, without much disturbance to the benign properties of Mn/WS2.

cond-mat.mes-hall

Property-aimed embedding: a machine learning framework for material discovery

Proposing new materials by atom substitution based on periodic table similarity is a conventional strategy of searching for materials with desired property. We introduce a machine learning frame work that promotes this paradigm to be property-specific and quantitative. It is of peculiar usefulness in situations where abundance data is accessible for learning general knowledge but samples for the problem of interest are relatively scarce. We showcase its usage and viability in the problem of separating high entropy alloys with different structural phases, for which a very simple data-driven criterion achieves differentiating ability comparable with widely used empirical criteria. Its flexibility and generability make it a promising tool in other material discovery tasks and far beyond.

cond-mat.mtrl-sci

How to control Spin-Seebeck current in a metal-quantum dot-magnetic insulator junction

The control of the spin-Seebeck current is still a challenging task for the development of spin caloritronic devices. Here, we construct a spin-Seebeck device by inserting a strongly correlated quantum dot (QD) between the metal lead and magnetic insulator. Using the slave-particle approach and non-crossing approximation, we find that the spin-Seebeck effect increases significantly when the energy level of the QD locates near the Fermi level of the metal lead due to the enhancement of spin flipping and occurrences of quantum resonance. Since this can be easily realized by applying a gate voltage in experiments, the spin-Seebeck device proposed here can also work as a thermovoltaic transistor. Moreover, the optimal correlation strength and the energy level position of the QD are discussed to maximize the spin-Seebeck current as required for applications in controllable spin caloritronic devices.

cond-mat.str-el

Nodal domain partition and the number of communities in networks

It is difficult to detect and evaluate the number of communities in complex networks, especially when the situation involves with an ambiguous boundary between the inner- and inter-community densities. In this paper, Discrete Nodal Domain Theory could be used to provide a criterion to determine how many communities a network would have and how to partition these communities by means of the topological structure and geometric characterization. By capturing the signs of certain Laplacian eigenvectors we can separate the network into several reasonable clusters. The method leads to a fast and effective algorithm with application to a variety of real networks data sets.

physics.soc-ph

Fluctuation induced non-canonical BCS states: a mechanism for pseudogap

We pose the question of what effect the statistical fluctuation causes if it induces a non-unitary evolution. We apply this idea to the BCS model and study fluctuation around the mean-field average. We find that, dynamics of the thermalization influences the equilibrium besides the non-unitary evolution, and the resulting equilibrium state is no longer the canonical one. The pseudogap phenomenon can exist in this model.

cond-mat.supr-con