Xi Gao

DeepSeek-AI, Aixin Liu, Aoxue Mei et al.

We introduce DeepSeek-V3.2, a model that harmonizes high computational efficiency with superior reasoning and agent performance. The key technical breakthroughs of DeepSeek-V3.2 are as follows: (1) DeepSeek Sparse Attention (DSA): We introduce DSA, an efficient attention mechanism that substantially reduces computational complexity while preserving model performance in long-context scenarios. (2) Scalable Reinforcement Learning Framework: By implementing a robust reinforcement learning protocol and scaling post-training compute, DeepSeek-V3.2 performs comparably to GPT-5. Notably, our high-compute variant, DeepSeek-V3.2-Speciale, surpasses GPT-5 and exhibits reasoning proficiency on par with Gemini-3.0-Pro, achieving gold-medal performance in both the 2025 International Mathematical Olympiad (IMO) and the International Olympiad in Informatics (IOI). (3) Large-Scale Agentic Task Synthesis Pipeline: To integrate reasoning into tool-use scenarios, we developed a novel synthesis pipeline that systematically generates training data at scale. This methodology facilitates scalable agentic post-training, yielding substantial improvements in generalization and instruction-following robustness within complex, interactive environments.

Rihao Chang, He Jiao, Weizhi Nie et al.

Recent advances in large language models (LLMs) have enabled new possibilities in simulating complex physiological systems. We introduce Organ-Agents, a multi-agent framework that simulates human physiology via LLM-driven agents. Each Simulator models a specific system (e.g., cardiovascular, renal, immune). Training consists of supervised fine-tuning on system-specific time-series data, followed by reinforcement-guided coordination using dynamic reference selection and error correction. We curated data from 7,134 sepsis patients and 7,895 controls, generating high-resolution trajectories across 9 systems and 125 variables. Organ-Agents achieved high simulation accuracy on 4,509 held-out patients, with per-system MSEs <0.16 and robustness across SOFA-based severity strata. External validation on 22,689 ICU patients from two hospitals showed moderate degradation under distribution shifts with stable simulation. Organ-Agents faithfully reproduces critical multi-system events (e.g., hypotension, hyperlactatemia, hypoxemia) with coherent timing and phase progression. Evaluation by 15 critical care physicians confirmed realism and physiological plausibility (mean Likert ratings 3.9 and 3.7). Organ-Agents also enables counterfactual simulations under alternative sepsis treatment strategies, generating trajectories and APACHE II scores aligned with matched real-world patients. In downstream early warning tasks, classifiers trained on synthetic data showed minimal AUROC drops (<0.04), indicating preserved decision-relevant patterns. These results position Organ-Agents as a credible, interpretable, and generalizable digital twin for precision diagnosis, treatment simulation, and hypothesis testing in critical care.

Jianfeng Jiao, Xi Gao, Jie Li

Accurate prediction of pure component physiochemical properties is crucial for process integration, multiscale modeling, and optimization. In this work, an enhanced framework for pure component property prediction by using explainable machine learning methods is proposed. In this framework, the molecular representation method based on the connectivity matrix effectively considers atomic bonding relationships to automatically generate features. The supervised machine learning model random forest is applied for feature ranking and pooling. The adjusted R2 is introduced to penalize the inclusion of additional features, providing an assessment of the true contribution of features. The prediction results for normal boiling point (Tb), liquid molar volume, critical temperature (Tc) and critical pressure (Pc) obtained using Artificial Neural Network and Gaussian Process Regression models confirm the accuracy of the molecular representation method. Comparison with GC based models shows that the root-mean-square error on the test set can be reduced by up to 83.8%. To enhance the interpretability of the model, a feature analysis method based on Shapley values is employed to determine the contribution of each feature to the property predictions. The results indicate that using the feature pooling method reduces the number of features from 13316 to 100 without compromising model accuracy. The feature analysis results for Tb, Tc, and Pc confirms that different molecular properties are influenced by different structural features, aligning with mechanistic interpretations. In conclusion, the proposed framework is demonstrated to be feasible and provides a solid foundation for mixture component reconstruction and process integration modelling.

Xi Gao, Han Zhang, Aliakbar Panahi et al.

When samples have internal structure, we often see a mismatch between the objective optimized during training and the model's goal during inference. For example, in sequence-to-sequence modeling we are interested in high-quality translated sentences, but training typically uses maximum likelihood at the word level. The natural training-time loss would involve a combinatorial problem -- dynamic programming-based global sequence alignment -- but solutions to combinatorial problems are not differentiable with respect to their input parameters, so surrogate, differentiable losses are used instead. Here, we show how to perform gradient descent over combinatorial optimization algorithms that involve continuous parameters, for example edge weights, and can be efficiently expressed as linear programs. We demonstrate usefulness of gradient descent over combinatorial optimization in sequence-to-sequence modeling using differentiable encoder-decoder architecture with softmax or Gumbel-softmax, and in image classification in a weakly supervised setting where instead of the correct class for each photo, only groups of photos labeled with correct but unordered set of classes are available during training.

Han Zhang, Xi Gao, Jacob Unterman et al.

Neural ODEs and i-ResNet are recently proposed methods for enforcing invertibility of residual neural models. Having a generic technique for constructing invertible models can open new avenues for advances in learning systems, but so far the question of whether Neural ODEs and i-ResNets can model any continuous invertible function remained unresolved. Here, we show that both of these models are limited in their approximation capabilities. We then prove that any homeomorphism on a $p$-dimensional Euclidean space can be approximated by a Neural ODE operating on a $2p$-dimensional Euclidean space, and a similar result for i-ResNets. We conclude by showing that capping a Neural ODE or an i-ResNet with a single linear layer is sufficient to turn the model into a universal approximator for non-invertible continuous functions.