Yuesong Shen

Christian Koke, Abhishek Saroha, Yuesong Shen et al.

It is by now a well known fact in the graph learning community that the presence of bottlenecks severely limits the ability of graph neural networks to propagate information over long distances. What so far has not been appreciated is that, counter-intuitively, also the presence of strongly connected sub-graphs may severely restrict information flow in common architectures. Motivated by this observation, we introduce the concept of multi-scale consistency. At the node level this concept refers to the retention of a connected propagation graph even if connectivity varies over a given graph. At the graph-level, multi-scale consistency refers to the fact that distinct graphs describing the same object at different resolutions should be assigned similar feature vectors. As we show, both properties are not satisfied by poular graph neural network architectures. To remedy these shortcomings, we introduce ResolvNet, a flexible graph neural network based on the mathematical concept of resolvents. We rigorously establish its multi-scale consistency theoretically and verify it in extensive experiments on real world data: Here networks based on this ResolvNet architecture prove expressive; out-performing baselines significantly on many tasks; in- and outside the multi-scale setting.

Bai Cong, Nico Daheim, Yuesong Shen et al.

We show that variational learning can significantly improve the accuracy and calibration of Low-Rank Adaptation (LoRA) without a substantial increase in the cost. We replace AdamW by the Improved Variational Online Newton (IVON) algorithm to finetune large language models. For Llama-2 with 7 billion parameters, IVON improves the accuracy over AdamW by 2.8% and expected calibration error by 4.6%. The accuracy is also better than the other Bayesian alternatives, yet the cost is lower and the implementation is easier. Our work provides additional evidence for the effectiveness of IVON for large language models. The code is available at https://github.com/team-approx-bayes/ivon-lora.

Yuesong Shen, Nico Daheim, Bai Cong et al.

We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or outperforms Adam for training large networks such as GPT-2 and ResNets from scratch. IVON's computational costs are nearly identical to Adam but its predictive uncertainty is better. We show several new use cases of IVON where we improve finetuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence that variational learning is effective.

Bai Cong, Nico Daheim, Yuesong Shen et al.

Bayesian methods have recently been used to improve LoRA finetuning and, although they improve calibration, their effect on other metrics (such as accuracy) is marginal and can sometimes even be detrimental. Moreover, Bayesian methods also increase computational overheads and require additional tricks for them to work well. Here, we fix these issues by using a recently proposed variational algorithm called IVON. We show that IVON is easy to implement and has similar costs to AdamW, and yet it can also drastically improve many metrics by using a simple posterior pruning technique. We present extensive results on billion-scale LLMs (Llama and Qwen series) going way beyond the scale of existing applications of IVON. For example, we finetune a Llama-3.2-3B model on a set of commonsense reasoning tasks and improve accuracy over AdamW by 1.3% and reduce ECE by 5.4%, outperforming AdamW and other recent Bayesian methods like Laplace-LoRA and BLoB. Overall, our results show that variational learning with IVON can effectively improve LoRA finetuning.

Yu Wang, Yuesong Shen, Daniel Cremers

Node features and structural information of a graph are both crucial for semi-supervised node classification problems. A variety of graph neural network (GNN) based approaches have been proposed to tackle these problems, which typically determine output labels through feature aggregation. This can be problematic, as it implies conditional independence of output nodes given hidden representations, despite their direct connections in the graph. To learn the direct influence among output nodes in a graph, we propose the Explicit Pairwise Factorized Graph Neural Network (EPFGNN), which models the whole graph as a partially observed Markov Random Field. It contains explicit pairwise factors to model output-output relations and uses a GNN backbone to model input-output relations. To balance model complexity and expressivity, the pairwise factors have a shared component and a separate scaling coefficient for each edge. We apply the EM algorithm to train our model, and utilize a star-shaped piecewise likelihood for the tractable surrogate objective. We conduct experiments on various datasets, which shows that our model can effectively improve the performance for semi-supervised node classification on graphs.

Yuesong Shen, Daniel Cremers

The last decade has witnessed a boom of deep learning research and applications achieving state-of-the-art results in various domains. However, most advances have been established empirically, and their theoretical analysis remains lacking. One major issue is that our current interpretation of neural networks (NNs) as function approximators is too generic to support in-depth analysis. In this paper, we remedy this by proposing an alternative interpretation that identifies NNs as chain graphs (CGs) and feed-forward as an approximate inference procedure. The CG interpretation specifies the nature of each NN component within the rich theoretical framework of probabilistic graphical models, while at the same time remains general enough to cover real-world NNs with arbitrary depth, multi-branching and varied activations, as well as common structures including convolution / recurrent layers, residual block and dropout. We demonstrate with concrete examples that the CG interpretation can provide novel theoretical support and insights for various NN techniques, as well as derive new deep learning approaches such as the concept of partially collapsed feed-forward inference. It is thus a promising framework that deepens our understanding of neural networks and provides a coherent theoretical formulation for future deep learning research.

Yuesong Shen, Tao Wu, Csaba Domokos et al.

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close analogy to neural networks (NNs), that is, they have deep hierarchical structures and convolutional or local connections between layers. Equipped with tensorized truncated variational inference, our LGMs can be efficiently trained via backpropagation on mainstream deep learning frameworks such as PyTorch. To deal with continuous valued inputs, we use a simple yet effective soft-clamping strategy for efficient inference. Through extensive experiments on image classification over MNIST and FashionMNIST datasets, we demonstrate that LGMs are capable of achieving competitive results comparable to NNs of similar architectures, while preserving transparent probabilistic modeling.