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Cold-Start Forecasting of New Product Life-Cycles via Conditional Diffusion Models

Zhou, Ruihan, Zhang, Zishi, Han, Jinhui, Peng, Yijie, Zhang, Xiaowei

arXiv.org Machine Learning

Forecasting the life-cycle trajectory of a newly launched product is important for launch planning, resource allocation, and early risk assessment. This task is especially difficult in the pre-launch and early post-launch phases, when product-specific outcome history is limited or unavailable, creating a cold-start problem. In these phases, firms must make decisions before demand patterns become reliably observable, while early signals are often sparse, noisy, and unstable We propose the Conditional Diffusion Life-cycle Forecaster (CDLF), a conditional generative framework for forecasting new-product life-cycle trajectories under cold start. CDLF combines three sources of information: static descriptors, reference trajectories from similar products, and newly arriving observations when available. Here, static descriptors refer to structured pre-launch characteristics of the product, such as category, price tier, brand or organization identity, scale, and access conditions. This structure allows the model to condition forecasts on relevant product context and to update them adaptively over time without retraining, yielding flexible multi-modal predictive distributions under extreme data scarcity. The method satisfies consistency with a horizon-uniform distributional error bound for recursive generation. Across studies on Intel microprocessor stock keeping unit (SKU) life cycles and the platform-mediated adoption of open large language model repositories, CDLF delivers more accurate point forecasts and higher-quality probabilistic forecasts than classical diffusion models, Bayesian updating approaches, and other state-of-the-art machine-learning baselines.


KANEL: Kolmogorov-Arnold Network Ensemble Learning Enables Early Hit Enrichment in High-Throughput Virtual Screening

Koptev, Pavel, Krainov, Nikita, Malkov, Konstantin, Tropsha, Alexander

arXiv.org Machine Learning

Machine learning models of chemical bioactivity are increasingly used for prioritizing a small number of compounds in virtual screening libraries for experimental follow-up. In these applications, assessing model accuracy by early hit enrichment such as Positive Predicted Value (PPV) calculated for top N hits (PPV@N) is more appropriate and actionable than traditional global metrics such as AUC. We present KANEL, an ensemble workflow that combines interpretable Kolmogorov-Arnold Networks (KANs) with XGBoost, random forest, and multilayer perceptron models trained on complementary molecular representations (LillyMol descriptors, RDKit-derived descriptors, and Morgan fingerprints). Across five public PubChem BioAssay datasets (AIDs 485314, 485341, 504466, 624202, and 651820), Optuna-optimized weighted ensembles consistently outperformed the best single model in PPV@128 by 0.06-0.12


Working hard to know your neighbor's margins: Local descriptor learning loss

Neural Information Processing Systems

We introduce a loss for metric learning, which is inspired by the Lowe's matching criterion for SIFT. We show that the proposed loss, that maximizes the distance between the closest positive and closest negative example in the batch, is better than complex regularization methods; it works well for both shallow and deep convolution network architectures. Applying the novel loss to the L2Net CNN architecture results in a compact descriptor named HardNet. It has the same dimensionality as SIFT (128) and shows state-of-art performance in wide baseline stereo, patch verification and instance retrieval benchmarks.