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Jinghong Zhang

Publications and source records attributed to Jinghong Zhang.

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An Interpretable Memory Decision Controller for LLM Agents Based on Three-Signal Complementarity: Decoupling Confidence and Consistency

Memory systems for large language models have focused predominantly on efficient retrieval, whereas the decision of whether retrieved memories should be trusted has received comparatively little attention. When the memory store contains conflicting positions, standard retrieval-augmented generation (RAG) blindly injects memories and amplifies hallucinations: in models susceptible to memory injection, the RAG hallucination rate under conflicting memories is markedly higher than that of a memory-free baseline. Inspired by memory signaling mechanisms in the prefrontal cortex, we propose the Memory Decision Layer (MDL), a zero-parameter memory decision controller situated between the retrieval and generation stages. Its core is a three-signal complementary encoder that fuses relevance, reliability, and task risk through QR-based orthogonal subspace projection and a meta-working-memory signal into an interpretable decision representation that quantifies the trustworthiness of retrieved memories. Building on this encoder, MDL explicitly decouples confidence from consistency and introduces risk inversion and explicit abstention. Evaluations on mainstream large language models and multiple open-source datasets show that MDL reduces the hallucination rate under conflicting memories by about 56.04% in general scenarios and approaches zero hallucination in high-risk scenarios. The controller is fully white-box: it relies purely on geometric operations, requires no trained parameters, and adds only about 0.14 ms per decision -- roughly 50x faster than the embedding-retrieval step that precedes it and four to five orders of magnitude faster than an LLM self-evaluation call.

cs.CL

Ab Initio Auxiliary-Field Quantum Monte Carlo in the Thermodynamic Limit

Ab initio auxiliary-field quantum Monte Carlo (AFQMC) is a systematically improvable many-body method, but its application to extended solids has been severely limited by unfavorable computational scaling and memory requirements that obstruct direct access to the thermodynamic and complete-basis-set limits. By combining tensor hypercontraction with $\mathbf{k}$-point symmetry, we reduce the computational and memory scaling of ab initio AFQMC for solids to $\mathcal O(N^3)$ and $\mathcal O(N^2)$, respectively, with an arbitrary basis, comparable to diffusion Monte Carlo. This enables direct and simultaneous thermodynamic-limit and complete-basis-set AFQMC calculations across insulating, metallic, and strongly correlated solids, without embedding, local approximations, empirical finite-size corrections, or composite schemes. Our results establish AFQMC as a general-purpose, systematically improvable alternative to diffusion Monte Carlo and coupled-cluster methods for predictive ab initio simulations of solids, enabling accurate energies and magnetic observables within a unified framework.

cond-mat.str-el

Regularized Perturbation Theory for Ab initio Solids

Second-order Moller-Plesset perturbation theory (MP2) for ab initio simulations of solids is often limited by divergence or over-correlation issues, particularly in metallic, narrow-gap, and dispersion-stabilized systems. We develop and assess three regularized second-order perturbation theories: $κ$-MP2, $σ$-MP2, and the size-consistent Brillouin-Wigner approach (BW-s2), across metals, semiconductors, molecular crystals, and rare gas solids. BW-s2 achieves high accuracy for cohesive energies, lattice constants, and bulk moduli in metals, semiconductors, and molecular crystals, rivaling or surpassing coupled-cluster with singles and doubles at lower cost. In rare gas solids, where MP2 already underbinds, $κ$-MP2 does not make the results much worse while BW-s2 struggles. These results illustrate both the potential and the limitations of regularized perturbation theory for efficient and accurate solid-state simulations. While broader testing is warranted, BW-s2($α$ = 2) appears particularly promising, with possible advantages over modern random-phase approximations and coupled-cluster theory.

cond-mat.mtrl-sci

Walking through Hilbert Space with Quantum Computers

Computations of chemical systems' equilibrium properties and non-equilibrium dynamics have been suspected of being a "killer app" for quantum computers. This review highlights the recent advancements of quantum algorithms tackling complex sampling tasks in the key areas of computational chemistry: ground state, thermal state properties, and quantum dynamics calculations. We review a broad range of quantum algorithms, from hybrid quantum-classical to fully quantum, focusing on the traditional Monte Carlo family, including Markov chain Monte Carlo, variational Monte Carlo, projector Monte Carlo, path integral Monte Carlo, etc. We also cover other relevant techniques involving complex sampling tasks, such as quantum-selected configuration interaction, minimally entangled typical thermal states, entanglement forging, and Monte Carlo-flavored Lindbladian dynamics. We provide a comprehensive overview of these algorithms' classical and quantum counterparts, detailing their theoretical frameworks and discussing the potentials and challenges in achieving quantum computational advantages.

quant-ph

TrustDataFilter:Leveraging Trusted Knowledge Base Data for More Effective Filtering of Unknown Information

With the advancement of technology and changes in the market, the demand for the construction of domain-specific knowledge bases has been increasing, either to improve model performance or to promote enterprise innovation and competitiveness. The construction of domain-specific knowledge bases typically relies on web crawlers or existing industry databases, leading to problems with accuracy and consistency of the data. To address these challenges, we considered the characteristics of domain data, where internal knowledge is interconnected, and proposed the Self-Natural Language Inference Data Filtering (self-nli-TDF) framework. This framework compares trusted filtered knowledge with the data to be filtered, deducing the reasoning relationship between them, thus improving filtering performance. The framework uses plug-and-play large language models for trustworthiness assessment and employs the RoBERTa-MNLI model from the NLI domain for reasoning. We constructed three datasets in the domains of biology, radiation, and science, and conducted experiments using RoBERTa, GPT3.5, and the local Qwen2 model. The experimental results show that this framework improves filter quality, producing more consistent and reliable filtering results.

cs.IR

Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures

ipie is a Python-based auxiliary-field quantum Monte Carlo (AFQMC) package that has undergone substantial improvements since its initial release [J. Chem. Theory Comput., 2023, 19(1): 109-121]. This paper outlines the improved modularity and new capabilities implemented in ipie. We highlight the ease of incorporating different trial and walker types and the seamless integration of ipie with external libraries. We enable distributed Hamiltonian simulations of large systems that otherwise would not fit on single CPU node or GPU card. This development enabled us to compute the interaction energy of a benzene dimer with 84 electrons and 1512 orbitals with multi-GPUs. Using CUDA and cupy for NVIDIA GPUs, ipie supports GPU-accelerated multi-slater determinant trial wavefunctions [arXiv:2406.08314] to enable efficient and highly accurate simulations of large-scale systems. This allows for near-exact ground state energies of multi-reference clusters, [Cu$_2$O$_2$]$^{2+}$ and [Fe$_2$S$_2$(SCH$_3$)$_4$]$^{2-}$. We also describe implementations of free projection AFQMC, finite temperature AFQMC, AFQMC for electron--phonon systems, and automatic differentiation in AFQMC for calculating physical properties. These advancements position ipie as a leading platform for AFQMC research in quantum chemistry, facilitating more complex and ambitious computational method development and their applications.

physics.chem-ph

Tree Search-Based Evolutionary Bandits for Protein Sequence Optimization

While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein. Protein engineering is typically conducted through an iterative process of adding mutations to the wild-type or lead sequences, recombination of mutations, and running new rounds of screening. To enhance the efficiency of such a process, we propose a tree search-based bandit learning method, which expands a tree starting from the initial sequence with the guidance of a bandit machine learning model. Under simplified assumptions and a Gaussian Process prior, we provide theoretical analysis and a Bayesian regret bound, demonstrating that the combination of local search and bandit learning method can efficiently discover a near-optimal design. The full algorithm is compatible with a suite of randomized tree search heuristics, machine learning models, pre-trained embeddings, and bandit techniques. We test various instances of the algorithm across benchmark protein datasets using simulated screens. Experiment results demonstrate that the algorithm is both sample-efficient and able to find top designs using reasonably small mutation counts.

q-bio.BM