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Bozheng Dou

Publications and source records attributed to Bozheng Dou.

3 recordsLinked to original sources

Transformer-Based Characterization of Criticality in Directed Percolation

Directed percolation (DP) provides a canonical framework for studying nonequilibrium phase transitions into absorbing states, yet extracting critical behavior directly from high-dimensional spatiotemporal configurations remains challenging. Here, we investigate (1 + 1)- and (2 + 1)-dimensional bond DP using a supervised Transformer encoder. Supervised learning results demonstrate that the Transformer can distinguish between the active and absorbing phases of directed percolation with high accuracy. The critical point and critical exponents estimated from the model's classification probabilities align closely with reference values from existing literature, indicating that the model not only achieves phase classification but also yields outputs containing information related to critical scaling behavior. To probe the model's internal representation, we employ attention rollout and define an attention center that quantifies the temporal centroid of the cumulative attention distribution. The attention patterns and the attention center reorganize systematically near the critical region and exhibit pronounced finite-size dependence. Finally, we examined the model's transferability between configurations generated from fully occupied initial states and those from single-seed initial states. The results indicate the presence of transferable information between the two types of data, though the transfer performance exhibits directional asymmetry. Furthermore, when using an equal amount of target-domain data, fine-tuning yielded only a marginal improvement in accuracy compared to training from scratch.

cond-mat.stat-mech↗

Machine learning predictions from unpredictable chaos

Chaos is omnipresent in nature, and its understanding provides enormous social and economic benefits. However, the unpredictability of chaotic systems is a textbook concept due to their sensitivity to initial conditions, aperiodic behavior, fractal dimensions, nonlinearity, and strange attractors. In this work, we introduce, for the first time, chaotic learning, a novel multiscale topological paradigm that enables accurate predictions from chaotic systems. We show that seemingly random and unpredictable chaotic dynamics counterintuitively offer unprecedented quantitative predictions. Specifically, we devise multiscale topological Laplacians to embed real-world data into a family of interactive chaotic dynamical systems, modulate their dynamical behaviors, and enable the accurate prediction of the input data. As a proof of concept, we consider 28 datasets from four categories of realistic problems: 10 brain waves, four benchmark protein datasets, 13 single-cell RNA sequencing datasets, and an image dataset, as well as two distinct chaotic dynamical systems, namely the Lorenz and Rossler attractors. We demonstrate chaotic learning predictions of the physical properties from chaos. Our new chaotic learning paradigm profoundly changes the textbook perception of chaos and bridges topology, chaos, and learning for the first time.

nlin.CD↗

Machine Learning Study of the Extended Drug-target Interaction Network informed by Pain Related Voltage-Gated Sodium Channels

Pain is a significant global health issue, and the current treatment options for pain management have limitations in terms of effectiveness, side effects, and potential for addiction. There is a pressing need for improved pain treatments and the development of new drugs. Voltage-gated sodium channels, particularly Nav1.3, Nav1.7, Nav1.8, and Nav1.9, play a crucial role in neuronal excitability and are predominantly expressed in the peripheral nervous system. Targeting these channels may provide a means to treat pain while minimizing central and cardiac adverse effects. In this study, we construct protein-protein interaction (PPI) networks based on pain-related sodium channels and develop a corresponding drug-target interaction (DTI) network to identify potential lead compounds for pain management. To ensure reliable machine learning predictions, we carefully select 111 inhibitor datasets from a pool of over 1,000 targets in the PPI network. We employ three distinct machine learning algorithms combined with advanced natural language processing (NLP)-based embeddings, specifically pre-trained transformer and autoencoder representations. Through a systematic screening process, we evaluate the side effects and repurposing potential of over 150,000 drug candidates targeting Nav1.7 and Nav1.8 sodium channels. Additionally, we assess the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of these candidates to identify leads with near-optimal characteristics. Our strategy provides an innovative platform for the pharmacological development of pain treatments, offering the potential for improved efficacy and reduced side effects.

q-bio.BM↗