Ziming Liu

Yizhou Liu, Ziming Liu, Jeff Gore

The success of today's large language models (LLMs) depends on the observation that larger models perform better. However, the origin of this neural scaling law, that loss decreases as a power law with model size, remains unclear. We propose that representation superposition, meaning that LLMs represent more features than they have dimensions, can be a key contributor to loss and cause neural scaling. Based on Anthropic's toy model, we use weight decay to control the degree of superposition, allowing us to systematically study how loss scales with model size. When superposition is weak, the loss follows a power law only if data feature frequencies are power-law distributed. In contrast, under strong superposition, the loss generically scales inversely with model dimension across a broad class of frequency distributions, due to geometric overlaps between representation vectors. We confirmed that open-sourced LLMs operate in the strong superposition regime and have loss scaling like one over the model dimension, and that the Chinchilla scaling laws are also consistent with this behavior. Our results identify representation superposition as a central driver of neural scaling laws, providing insights into questions like when neural scaling laws can be improved and when they will break down.

Ziming Liu, Yizhou Liu, Jeff Gore et al.

Beyond neural scaling laws, little is known about the laws underlying large language models (LLMs). We introduce Neural Thermodynamic Laws (NTL) -- a new framework that offers fresh insights into LLM training dynamics. On the theoretical side, we demonstrate that key thermodynamic quantities (e.g., temperature, entropy, heat capacity, thermal conduction) and classical thermodynamic principles (e.g., the three laws of thermodynamics and the equipartition theorem) naturally emerge under river-valley loss landscape assumptions. On the practical side, this scientific perspective yields intuitive guidelines for designing learning rate schedules.

David D. Baek, Ziming Liu, Riya Tyagi et al.

In this paper, we introduce harmonic loss as an alternative supervisory signal for training neural networks and large language models (LLMs). Harmonic loss differs from standard cross-entropy loss by (a) replacing the usual SoftMax normalization with a scale-invariant HarMax function and (b) computing logits via Euclidean distance rather than a dot product. Harmonic loss enables improved interpretability and faster convergence, owing to its scale invariance and finite convergence point by design, which can be interpreted as a class center. We first validate the performance of harmonic models across algorithmic, vision, and language datasets. Through extensive experiments, we demonstrate that models trained with harmonic loss perform better than standard models by: (a) enhancing interpretability, (b) requiring less data for generalization, and (c) reducing grokking. Moreover, we compare a GPT-2 model trained with harmonic loss to the standard GPT-2, illustrating that the harmonic model develops more interpretable representations. Looking forward, we believe harmonic loss may become a valuable tool in domains with limited data availability or in high-stakes applications where interpretability and reliability are paramount, paving the way for more robust and efficient neural network models.

Subhash Kantamneni, Ziming Liu, Max Tegmark

Integrable partial differential equation (PDE) systems are of great interest in natural science, but are exceedingly rare and difficult to discover. To solve this, we introduce OptPDE, a first-of-its-kind machine learning approach that Optimizes PDEs' coefficients to maximize their number of conserved quantities, $n_{\rm CQ}$, and thus discover new integrable systems. We discover four families of integrable PDEs, one of which was previously known, and three of which have at least one conserved quantity but are new to the literature to the best of our knowledge. We investigate more deeply the properties of one of these novel PDE families, $u_t = (u_x+a^2u_{xxx})^3$. Our paper offers a promising schema of AI-human collaboration for integrable system discovery: machine learning generates interpretable hypotheses for possible integrable systems, which human scientists can verify and analyze, to truly close the discovery loop.

Xinghong Fu, Ziming Liu, Max Tegmark

When two AI models are trained on the same scientific task, do they learn the same theory or two different theories? Throughout history of science, we have witnessed the rise and fall of theories driven by experimental validation or falsification: many theories may co-exist when experimental data is lacking, but the space of survived theories become more constrained with more experimental data becoming available. We show the same story is true for AI scientists. With increasingly more systems provided in training data, AI scientists tend to converge in the theories they learned, although sometimes they form distinct groups corresponding to different theories. To mechanistically interpret what theories AI scientists learn and quantify their agreement, we propose MASS, Hamiltonian-Lagrangian neural networks as AI Scientists, trained on standard problems in physics, aggregating training results across many seeds simulating the different configurations of AI scientists. Our findings suggests for AI scientists switch from learning a Hamiltonian theory in simple setups to a Lagrangian formulation when more complex systems are introduced. We also observe strong seed dependence of the training dynamics and final learned weights, controlling the rise and fall of relevant theories. We finally demonstrate that not only can our neural networks aid interpretability, it can also be applied to higher dimensional problems.