Jie Bao

Si Sun, Chenyan Xiong, Yue Yu et al. · tsinghua

In this paper, we investigate the instability in the standard dense retrieval training, which iterates between model training and hard negative selection using the being-trained model. We show the catastrophic forgetting phenomena behind the training instability, where models learn and forget different negative groups during training iterations. We then propose ANCE-Tele, which accumulates momentum negatives from past iterations and approximates future iterations using lookahead negatives, as "teleportations" along the time axis to smooth the learning process. On web search and OpenQA, ANCE-Tele outperforms previous state-of-the-art systems of similar size, eliminates the dependency on sparse retrieval negatives, and is competitive among systems using significantly more (50x) parameters. Our analysis demonstrates that teleportation negatives reduce catastrophic forgetting and improve convergence speed for dense retrieval training. Our code is available at https://github.com/OpenMatch/ANCE-Tele.

Si Sun, Yida Lu, Shi Yu et al. · tsinghua

Few-shot dense retrieval (DR) aims to effectively generalize to novel search scenarios by learning a few samples. Despite its importance, there is little study on specialized datasets and standardized evaluation protocols. As a result, current methods often resort to random sampling from supervised datasets to create "few-data" setups and employ inconsistent training strategies during evaluations, which poses a challenge in accurately comparing recent progress. In this paper, we propose a customized FewDR dataset and a unified evaluation benchmark. Specifically, FewDR employs class-wise sampling to establish a standardized "few-shot" setting with finely-defined classes, reducing variability in multiple sampling rounds. Moreover, the dataset is disjointed into base and novel classes, allowing DR models to be continuously trained on ample data from base classes and a few samples in novel classes. This benchmark eliminates the risk of novel class leakage, providing a reliable estimation of the DR model's few-shot ability. Our extensive empirical results reveal that current state-of-the-art DR models still face challenges in the standard few-shot scene. Our code and data will be open-sourced at https://github.com/OpenMatch/ANCE-Tele.

Brian R. Bartoldson, Yeping Hu, Amar Saini et al.

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote physical faithfulness, but hardware limitations have precluded their application to large computational domains. We show that it is \textit{possible} to train a class of GNN surrogates on 3D meshes. We scale MeshGraphNets (MGN), a subclass of GNNs for mesh-based physics modeling, via our domain decomposition approach to facilitate training that is mathematically equivalent to training on the whole domain under certain conditions. With this, we were able to train MGN on meshes with \textit{millions} of nodes to generate computational fluid dynamics (CFD) simulations. Furthermore, we show how to enhance MGN via higher-order numerical integration, which can reduce MGN's error and training time. We validated our methods on an accompanying dataset of 3D $\text{CO}_2$-capture CFD simulations on a 3.1M-node mesh. This work presents a practical path to scaling MGN for real-world applications.

Brian Bartoldson, Rui Wang, Yucheng Fu et al.

The CO2 capture efficiency in solvent-based carbon capture systems (CCSs) critically depends on the gas-solvent interfacial area (IA), making maximization of IA a foundational challenge in CCS design. While the IA associated with a particular CCS design can be estimated via a computational fluid dynamics (CFD) simulation, using CFD to derive the IAs associated with numerous CCS designs is prohibitively costly. Fortunately, previous works such as Deep Fluids (DF) (Kim et al., 2019) show that large simulation speedups are achievable by replacing CFD simulators with neural network (NN) surrogates that faithfully mimic the CFD simulation process. This raises the possibility of a fast, accurate replacement for a CFD simulator and therefore efficient approximation of the IAs required by CCS design optimization. Thus, here, we build on the DF approach to develop surrogates that can successfully be applied to our complex carbon-capture CFD simulations. Our optimized DF-style surrogates produce large speedups (4000x) while obtaining IA relative errors as low as 4% on unseen CCS configurations that lie within the range of training configurations. This hints at the promise of NN surrogates for our CCS design optimization problem. Nonetheless, DF has inherent limitations with respect to CCS design (e.g., limited transferability of trained models to new CCS packings). We conclude with ideas to address these challenges.

Lai Wei, Ryan McCloy, Jie Bao

In response to the continuously changing feedstock supply and market demand for products with different specifications, the processes need to be operated at time-varying operating conditions and targets (e.g., setpoints) to improve the process economy, in contrast to traditional process operations around predetermined equilibriums. In this paper, a contraction theory-based control approach using neural networks is developed for nonlinear chemical processes to achieve time-varying reference tracking. This approach leverages the universal approximation characteristics of neural networks with discrete-time contraction analysis and control. It involves training a neural network to learn a contraction metric and differential feedback gain, that is embedded in a contraction-based controller. A second, separate neural network is also incorporated into the control-loop to perform online learning of uncertain system model parameters. The resulting control scheme is capable of achieving efficient offset-free tracking of time-varying references, with a full range of model uncertainty, without the need for controller structure redesign as the reference changes. This is a robust approach that can deal with bounded parametric uncertainties in the process model, which are commonly encountered in industrial (chemical) processes. This approach also ensures the process stability during online simultaneous learning and control. Simulation examples are provided to illustrate the above approach.