Paper List
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Evolutionarily Stable Stackelberg Equilibrium
通过要求追随者策略对突变入侵具有鲁棒性,弥合了斯塔克尔伯格领导力模型与演化稳定性之间的鸿沟。
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Recovering Sparse Neural Connectivity from Partial Measurements: A Covariance-Based Approach with Granger-Causality Refinement
通过跨多个实验会话累积协方差统计,实现从部分记录到完整神经连接性的重建。
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Atomic Trajectory Modeling with State Space Models for Biomolecular Dynamics
ATMOS通过提供一个基于SSM的高效框架,用于生物分子的原子级轨迹生成,弥合了计算昂贵的MD模拟与时间受限的深度生成模型之间的差距。
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Slow evolution towards generalism in a model of variable dietary range
通过证明是种群统计噪声(而非确定性动力学)驱动了模式形成和泛化食性的演化,解决了间接竞争下物种形成的悖论。
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Grounded Multimodal Retrieval-Augmented Drafting of Radiology Impressions Using Case-Based Similarity Search
通过将印象草稿基于检索到的历史病例,并采用明确引用和基于置信度的拒绝机制,解决放射学报告生成中的幻觉问题。
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Unified Policy–Value Decomposition for Rapid Adaptation
通过双线性分解在策略和价值函数之间共享低维目标嵌入,实现对新颖任务的零样本适应。
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Mathematical Modeling of Cancer–Bacterial Therapy: Analysis and Numerical Simulation via Physics-Informed Neural Networks
提供了一个严格的、无网格的PINN框架,用于模拟和分析细菌癌症疗法中复杂的、空间异质的相互作用。
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Sample-Efficient Adaptation of Drug-Response Models to Patient Tumors under Strong Biological Domain Shift
通过从无标记分子谱中学习可迁移表征,利用最少的临床数据实现患者药物反应的有效预测。
Ill-Conditioning in Dictionary-Based Dynamic-Equation Learning: A Systems Biology Case Study
Northwestern University | NSF-Simons National Institute for Theory and Mathematics in Biology
30秒速读
IN SHORT: This paper addresses the critical challenge of numerical ill-conditioning and multicollinearity in library-based sparse regression methods (e.g., SINDy), which leads to unstable and inaccurate recovery of governing equations from biological time-series data.
核心创新
- Methodology Quantitatively demonstrates that severe ill-conditioning (condition numbers up to 10^18) arises even with simple 2-3 term combinations in polynomial libraries, fundamentally limiting sparse identification methods.
- Methodology Shows that orthogonal polynomial bases (e.g., Legendre, Chebyshev) fail to improve conditioning when data distributions deviate from their theoretical weight functions, sometimes performing worse than monomials.
- Methodology Proposes and validates that aligning the data sampling distribution with the orthogonal basis's weight function can mitigate ill-conditioning and improve model recovery accuracy.
主要结论
- Ill-conditioning is pervasive in polynomial libraries for biological systems: condition numbers reach O(10^5) for Lotka-Volterra and O(10^18) for chemical reaction network models, leading to systematic model misidentification.
- Orthogonal polynomial bases are not a universal solution; they can worsen conditioning when data distributions (e.g., from constrained biological trajectories) deviate from the basis's required weight function.
- Distribution-aligned sampling is a key enabler: when data are sampled according to the orthogonal basis's weight function, conditioning improves significantly, enabling more accurate equation recovery.
摘要: Data-driven discovery of governing equations from time-series data provides a powerful framework for understanding complex biological systems. Library-based approaches that use sparse regression over candidate functions have shown considerable promise, but they face a critical challenge when candidate functions become strongly correlated: numerical ill-conditioning. Poor or restricted sampling, together with particular choices of candidate libraries, can produce strong multicollinearity and numerical instability. In such cases, measurement noise may lead to widely different recovered models, obscuring the true underlying dynamics and hindering accurate system identification. Although sparse regularization promotes parsimonious solutions and can partially mitigate conditioning issues, strong correlations may persist, regularization may bias the recovered models, and the regression problem may remain highly sensitive to small perturbations in the data. We present a systematic analysis of how ill-conditioning affects sparse identification of biological dynamics using benchmark models from systems biology. We show that combinations involving as few as two or three terms can already exhibit strong multicollinearity and extremely large condition numbers. We further show that orthogonal polynomial bases do not consistently resolve ill-conditioning and can perform worse than monomial libraries when the data distribution deviates from the weight function associated with the orthogonal basis. Finally, we demonstrate that when data are sampled from distributions aligned with the appropriate weight functions corresponding to the orthogonal basis, numerical conditioning improves, and orthogonal polynomial bases can yield improved model recovery accuracy across two baseline models. Relevance to Life Sciences Numerical ill-conditioning is especially consequential in the model discovery for biological systems, where nonlinear interactions are often represented using nonlinear functions such as polynomials, and where multiscale dynamics, constrained state trajectories, and limited sampling due to experimental limitations can further amplify multicollinearity. We demonstrate these effects across benchmark models relevant to metabolic networks, regulatory networks, and population dynamics. Our results show that poor conditioning can impair the recovery of biologically meaningful governing equations, while sampling strategies matched to the candidate basis can improve identification accuracy. These results imply that a broader range of dynamic sampling is needed in most biological experiments to produce data sets that are suitable for data-driven model discovery with current methods. Mathematical Content This paper studies sparse regression-based equation discovery in the presence of multicollinearity and numerical ill-conditioning. We analyze the conditioning of candidate libraries, especially monomial and orthogonal polynomial bases, using condition numbers and model recovery under realistic sampling conditions with publicly available experimental data. We compare how basis choice and sampling distribution affect regression stability, sparsity, and the accuracy of recovered dynamical models.