Jiayu Zhou

Lei Shu, Dong Zhao, Jianli Chen et al.

Residential energy retrofit initiation is often stalled by an expertise gap, where homeowners lack the technical literacy required for structured building energy assessments and are thereby trapped in low-information environments with fragmented sources. To bridge this gap, this study reports a domain-specific large language model (LLM) designed to catalyze informed decision-making based solely on homeowner-accessible, natural-language descriptions, e.g., building age, size, and location. The model is created using the parameter-efficient low-rank adaption (LoRA) fine-tuning approach on a massive corpus grounded in physics-based energy simulations and techno-economic calculations from 536,416 U.S. residential building prototypes. Nine major retrofit categories are evaluated, including envelope upgrades, HVAC systems, and renewable energy installations. Validations against physics-grounded benchmarks show that the LLM consistently identifies high-quality retrofit options, achieving top-3 hit rates of 98.9% for maximum CO2 reduction and 93.3% for the shortest discounted payback year. Moreover, the model exhibits strong robustness under incomplete input conditions, maintaining stable performance even when basic dwelling descriptions are only 60% partially specified. By significantly lowering the information activation energy for non-expert users while maintaining the scientific rigor, this physics-based AI model offers a scalable pathway for parallelized, user-centered decision making, accelerating cumulative energy savings and emission reductions across community and national scales.

Lingxiao Li, Haobo Zhang, Bin Chen et al.

Text-conditioned molecular generation aims to translate natural-language descriptions into chemical structures, enabling scientists to specify functional groups, scaffolds, and physicochemical constraints without handcrafted rules. Diffusion-based models, particularly latent diffusion models (LDMs), have recently shown promise by performing stochastic search in a continuous latent space that compactly captures molecular semantics. Yet existing methods rely on one-shot conditioning, where the entire prompt is encoded once and applied throughout diffusion, making it hard to satisfy all the requirements in the prompt. We discuss three outstanding challenges of one-shot conditioning generation, including the poor interpretability of the generated components, the failure to generate all substructures, and the overambition in considering all requirements simultaneously. We then propose three principles to address those challenges, motivated by which we propose Chain-of-Generation (CoG), a training-free multi-stage latent diffusion framework. CoG decomposes each prompt into curriculum-ordered semantic segments and progressively incorporates them as intermediate goals, guiding the denoising trajectory toward molecules that satisfy increasingly rich linguistic constraints. To reinforce semantic guidance, we further introduce a post-alignment learning phase that strengthens the correspondence between textual and molecular latent spaces. Extensive experiments on benchmark and real-world tasks demonstrate that CoG yields higher semantic alignment, diversity, and controllability than one-shot baselines, producing molecules that more faithfully reflect complex, compositional prompts while offering transparent insight into the generation process.

Haobo Zhang, Jiayu Zhou

Fine-tuning large language models (LMs) for individual tasks yields strong performance but is expensive for deployment and storage. Recent works explore model merging to combine multiple task-specific models into a single multi-task model without additional training. However, existing merging methods often fail for models fine-tuned with low-rank adaptation (LoRA), due to significant performance degradation. In this paper, we show that this issue arises from a previously overlooked interplay between model parameters and data distributions. We propose Orthogonal Subspaces for Robust model Merging (OSRM) to constrain the LoRA subspace *prior* to fine-tuning, ensuring that updates relevant to one task do not adversely shift outputs for others. Our approach can seamlessly integrate with most existing merging algorithms, reducing the unintended interference among tasks. Extensive experiments on eight datasets, tested with three widely used LMs and two large LMs, demonstrate that our method not only boosts merging performance but also preserves single-task accuracy. Furthermore, our approach exhibits greater robustness to the hyperparameters of merging. These results highlight the importance of data-parameter interaction in model merging and offer a plug-and-play solution for merging LoRA models.