The architecture of deep feedforward neural networks is ubiquitous in deep learning, either as a whole system or as a subnetwork of other architectures, and thus its mechanism is a key ingredient of the black box of neural networks. On the basis of the simplest two-layer ReLU network, this paper systematically studies the mechanism of deep feedforward ReLU networks with multiple hidden layers and successfully explains the training solution obtained by the back-propagation algorithm. The concept of a path, especially in terms of the relationships between paths, plays a central role in uncovering the mystery of the black box. It is shown that a unit of a deep ReLU network can form a piecewise linear manifold to divide the input space, instead of a hyperplane of the two-layer case. How to efficiently use the hidden-layer units to produce both linear functions and partitions of the input space is also a central problem. The principles of a two-layer ReLU network can be generalized to the deeper case to a large extent, such as multiple strict partial orders and continuity restriction. The combination of the basic and simple principles proposed can yield complicated instantiations including the training solutions, and in this sense the black box of deep feedforward ReLU networks is revealed.
For scale-invariant deep networks, Hyperball-style optimizers have shown strong performance in large-scale training by fixing the norms of matrix-valued parameters and normalizing updates. However, the source of their advantage remains unclear. Starting from the angular displacem…
We introduce implicit machine learning force fields (I-MLFFs), which replace explicit stacks of neural network layers with self-consistent fixed-point equations. In molecular simulations, this formulation enables intermediate representations to be reused across successive timeste…
The rapid adoption of deep learning models in high-risk domains has intensified the need for trustworthy Explainable Artificial Intelligence (XAI). However, objectively evaluating explanation fidelity and aligning XAI metrics with human-centered understanding remain critical open…
Accurate pixel-level classification of coronary angiograms is critical for cardiovascular disease assessment, yet the field lacks standardized evaluation protocols. In this work we demonstrate a new benchmark for the assessment of deep learning models which densely classify pixel…
Reinforcement-learning-based quantum architecture search (RL-QAS) repeatedly optimizes a variational quantum eigensolver (VQE) after extending a circuit, although circuit construction and action legality are deterministic and known. We introduce DreamQAS, a model-based RL framewo…
Symbolic Regression (SR) aims to discover analytical equations from observational data and plays a central role in scientific modeling. While recent Large Language Model (LLM) based approaches show promise, they face two limitations. First, they lack data analysis mechanisms for…