With the escalating complexity and volume of genomic data, the capacity of biology institutions' HPC faces limitations. While the Cloud presents a viable solution for short-term elasticity, its intricacies pose challenges for bioinformatics users. Alternatively, serverless computing allows for workload scalability with minimal developer burden. However, porting a scientific application to serverless is not a straightforward process. In this article, we present a Variant Calling genomics pipeline migrated from single-node HPC to a serverless architecture. We describe the inherent challenges of this approach and the engineering efforts required to achieve scalability. We contribute by open-sourcing the pipeline for future systems research and as a scalable user-friendly tool for the bioinformatics community.
To tackle the issues of catastrophic forgetting and overfitting in few-shot class-incremental learning (FSCIL), previous work has primarily concentrated on preserving the memory of old knowledge during the incremental phase. The role of pre-trained model in shaping the effectiveness of incremental learning is frequently underestimated in these studies. Therefore, to enhance the generalization ability of the pre-trained model, we propose Learning with Prior Knowledge (LwPK) by introducing nearly free prior knowledge from a few unlabeled data of subsequent incremental classes. We cluster unlabeled incremental class samples to produce pseudo-labels, then jointly train these with labeled base class samples, effectively allocating embedding space for both old and new class data. Experimental results indicate that LwPK effectively enhances the model resilience against catastrophic forgetting, with theoretical analysis based on empirical risk minimization and class distance measurement corroborating its operational principles. The source code of LwPK is publicly available at: \url{//github.com/StevenJ308/LwPK}.
In biotechnology Raman Spectroscopy is rapidly gaining popularity as a process analytical technology (PAT) that measures cell densities, substrate- and product concentrations. As it records vibrational modes of molecules it provides that information non-invasively in a single spectrum. Typically, partial least squares (PLS) is the model of choice to infer information about variables of interest from the spectra. However, biological processes are known for their complexity where convolutional neural networks (CNN) present a powerful alternative. They can handle non-Gaussian noise and account for beam misalignment, pixel malfunctions or the presence of additional substances. However, they require a lot of data during model training, and they pick up non-linear dependencies in the process variables. In this work, we exploit the additive nature of spectra in order to generate additional data points from a given dataset that have statistically independent labels so that a network trained on such data exhibits low correlations between the model predictions. We show that training a CNN on these generated data points improves the performance on datasets where the annotations do not bear the same correlation as the dataset that was used for model training. This data augmentation technique enables us to reuse spectra as training data for new contexts that exhibit different correlations. The additional data allows for building a better and more robust model. This is of interest in scenarios where large amounts of historical data are available but are currently not used for model training. We demonstrate the capabilities of the proposed method using synthetic spectra of Ralstonia eutropha batch cultivations to monitor substrate, biomass and polyhydroxyalkanoate (PHA) biopolymer concentrations during of the experiments.
This study discusses the effects of positional encoding on recurrent neural networks (RNNs) utilizing synthetic benchmarks. Positional encoding "time-stamps" data points in time series and complements the capabilities of Transformer neural networks, which lack an inherent mechanism for representing the data order. By contrast, RNNs can encode the temporal information of data points on their own, rendering their use of positional encoding seemingly "redundant". Nonetheless, empirical investigations reveal the effectiveness of positional encoding even when coupled with RNNs, specifically for handling a large vocabulary that yields diverse observations. These findings pave the way for a new line of research on RNNs, concerning the combination of input-driven and autonomous time representation. Additionally, biological implications of the computational/simulational results are discussed, in the light of the affinity between the sinusoidal implementation of positional encoding and neural oscillations in biological brains.
With the recent advancement of Large Language Models (LLMs), generating functionally correct code has become less complicated for a wide array of developers. While using LLMs has sped up the functional development process, it poses a heavy risk to code security. Code generation with proper security measures using LLM is a significantly more challenging task than functional code generation. Security measures may include adding a pair of lines of code with the original code, consisting of null pointer checking or prepared statements for SQL injection prevention. Currently, available code repair LLMs generate code repair by supervised fine-tuning, where the model looks at cross-entropy loss. However, the original and repaired codes are mostly similar in functionality and syntactically, except for a few (1-2) lines, which act as security measures. This imbalance between the lines needed for security measures and the functional code enforces the supervised fine-tuned model to prioritize generating functional code without adding proper security measures, which also benefits the model by resulting in minimal loss. Therefore, in this work, for security hardening and strengthening of generated code from LLMs, we propose a reinforcement learning-based method for program-specific repair with the combination of semantic and syntactic reward mechanisms that focus heavily on adding security and functional measures in the code, respectively.
Text Classification is the most essential and fundamental problem in Natural Language Processing. While numerous recent text classification models applied the sequential deep learning technique, graph neural network-based models can directly deal with complex structured text data and exploit global information. Many real text classification applications can be naturally cast into a graph, which captures words, documents, and corpus global features. In this survey, we bring the coverage of methods up to 2023, including corpus-level and document-level graph neural networks. We discuss each of these methods in detail, dealing with the graph construction mechanisms and the graph-based learning process. As well as the technological survey, we look at issues behind and future directions addressed in text classification using graph neural networks. We also cover datasets, evaluation metrics, and experiment design and present a summary of published performance on the publicly available benchmarks. Note that we present a comprehensive comparison between different techniques and identify the pros and cons of various evaluation metrics in this survey.
One principal approach for illuminating a black-box neural network is feature attribution, i.e. identifying the importance of input features for the network's prediction. The predictive information of features is recently proposed as a proxy for the measure of their importance. So far, the predictive information is only identified for latent features by placing an information bottleneck within the network. We propose a method to identify features with predictive information in the input domain. The method results in fine-grained identification of input features' information and is agnostic to network architecture. The core idea of our method is leveraging a bottleneck on the input that only lets input features associated with predictive latent features pass through. We compare our method with several feature attribution methods using mainstream feature attribution evaluation experiments. The code is publicly available.
Sequential recommendation aims to leverage users' historical behaviors to predict their next interaction. Existing works have not yet addressed two main challenges in sequential recommendation. First, user behaviors in their rich historical sequences are often implicit and noisy preference signals, they cannot sufficiently reflect users' actual preferences. In addition, users' dynamic preferences often change rapidly over time, and hence it is difficult to capture user patterns in their historical sequences. In this work, we propose a graph neural network model called SURGE (short for SeqUential Recommendation with Graph neural nEtworks) to address these two issues. Specifically, SURGE integrates different types of preferences in long-term user behaviors into clusters in the graph by re-constructing loose item sequences into tight item-item interest graphs based on metric learning. This helps explicitly distinguish users' core interests, by forming dense clusters in the interest graph. Then, we perform cluster-aware and query-aware graph convolutional propagation and graph pooling on the constructed graph. It dynamically fuses and extracts users' current activated core interests from noisy user behavior sequences. We conduct extensive experiments on both public and proprietary industrial datasets. Experimental results demonstrate significant performance gains of our proposed method compared to state-of-the-art methods. Further studies on sequence length confirm that our method can model long behavioral sequences effectively and efficiently.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.
The potential of graph convolutional neural networks for the task of zero-shot learning has been demonstrated recently. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing generalization to new classes when faced with a lack of data. However, knowledge from distant nodes can get diluted when propagating through intermediate nodes, because current approaches to zero-shot learning use graph propagation schemes that perform Laplacian smoothing at each layer. We show that extensive smoothing does not help the task of regressing classifier weights in zero-shot learning. In order to still incorporate information from distant nodes and utilize the graph structure, we propose an Attentive Dense Graph Propagation Module (ADGPM). ADGPM allows us to exploit the hierarchical graph structure of the knowledge graph through additional connections. These connections are added based on a node's relationship to its ancestors and descendants and an attention scheme is further used to weigh their contribution depending on the distance to the node. Finally, we illustrate that finetuning of the feature representation after training the ADGPM leads to considerable improvements. Our method achieves competitive results, outperforming previous zero-shot learning approaches.