Chenghao Liu

Devansh Arpit, Matthew Fernandez, Itai Feigenbaum et al. · salesforce, stanford

We introduce the Salesforce CausalAI Library, an open-source library for causal analysis using observational data. It supports causal discovery and causal inference for tabular and time series data, of discrete, continuous and heterogeneous types. This library includes algorithms that handle linear and non-linear causal relationships between variables, and uses multi-processing for speed-up. We also include a data generator capable of generating synthetic data with specified structural equation model for the aforementioned data formats and types, that helps users control the ground-truth causal process while investigating various algorithms. Finally, we provide a user interface (UI) that allows users to perform causal analysis on data without coding. The goal of this library is to provide a fast and flexible solution for a variety of problems in the domain of causality. This technical report describes the Salesforce CausalAI API along with its capabilities, the implementations of the supported algorithms, and experiments demonstrating their performance and speed. Our library is available at \url{https://github.com/salesforce/causalai}.

Quang Pham, Chenghao Liu, Steven C. H. Hoi

According to the Complementary Learning Systems (CLS) theory~\cite{mcclelland1995there} in neuroscience, humans do effective \emph{continual learning} through two complementary systems: a fast learning system centered on the hippocampus for rapid learning of the specifics, individual experiences; and a slow learning system located in the neocortex for the gradual acquisition of structured knowledge about the environment. Motivated by this theory, we propose \emph{DualNets} (for Dual Networks), a general continual learning framework comprising a fast learning system for supervised learning of pattern-separated representation from specific tasks and a slow learning system for representation learning of task-agnostic general representation via Self-Supervised Learning (SSL). DualNets can seamlessly incorporate both representation types into a holistic framework to facilitate better continual learning in deep neural networks. Via extensive experiments, we demonstrate the promising results of DualNets on a wide range of continual learning protocols, ranging from the standard offline, task-aware setting to the challenging online, task-free scenario. Notably, on the CTrL~\cite{veniat2020efficient} benchmark that has unrelated tasks with vastly different visual images, DualNets can achieve competitive performance with existing state-of-the-art dynamic architecture strategies~\cite{ostapenko2021continual}. Furthermore, we conduct comprehensive ablation studies to validate DualNets efficacy, robustness, and scalability. Code will be made available at \url{https://github.com/phquang/DualNet}.

Jarrid Rector-Brooks, Kanika Madan, Moksh Jain et al. · mila

Generative flow networks (GFlowNets) are amortized variational inference algorithms that treat sampling from a distribution over compositional objects as a sequential decision-making problem with a learnable action policy. Unlike other algorithms for hierarchical sampling that optimize a variational bound, GFlowNet algorithms can stably run off-policy, which can be advantageous for discovering modes of the target distribution. Despite this flexibility in the choice of behaviour policy, the optimal way of efficiently selecting trajectories for training has not yet been systematically explored. In this paper, we view the choice of trajectories for training as an active learning problem and approach it using Bayesian techniques inspired by methods for multi-armed bandits. The proposed algorithm, Thompson sampling GFlowNets (TS-GFN), maintains an approximate posterior distribution over policies and samples trajectories from this posterior for training. We show in two domains that TS-GFN yields improved exploration and thus faster convergence to the target distribution than the off-policy exploration strategies used in past work.

Alex Hernandez-Garcia, Nikita Saxena, Moksh Jain et al. · mila

In the last decades, the capacity to generate large amounts of data in science and engineering applications has been growing steadily. Meanwhile, machine learning has progressed to become a suitable tool to process and utilise the available data. Nonetheless, many relevant scientific and engineering problems present challenges where current machine learning methods cannot yet efficiently leverage the available data and resources. For example, in scientific discovery, we are often faced with the problem of exploring very large, structured and high-dimensional spaces. Moreover, the high fidelity, black-box objective function is often very expensive to evaluate. Progress in machine learning methods that can efficiently tackle such challenges would help accelerate currently crucial areas such as drug and materials discovery. In this paper, we propose a multi-fidelity active learning algorithm with GFlowNets as a sampler, to efficiently discover diverse, high-scoring candidates where multiple approximations of the black-box function are available at lower fidelity and cost. Our evaluation on molecular discovery tasks shows that multi-fidelity active learning with GFlowNets can discover high-scoring candidates at a fraction of the budget of its single-fidelity counterpart while maintaining diversity, unlike RL-based alternatives. These results open new avenues for multi-fidelity active learning to accelerate scientific discovery and engineering design.

Qian Cheng, Doyen Sahoo, Amrita Saha et al.

Artificial Intelligence for IT operations (AIOps) aims to combine the power of AI with the big data generated by IT Operations processes, particularly in cloud infrastructures, to provide actionable insights with the primary goal of maximizing availability. There are a wide variety of problems to address, and multiple use-cases, where AI capabilities can be leveraged to enhance operational efficiency. Here we provide a review of the AIOps vision, trends challenges and opportunities, specifically focusing on the underlying AI techniques. We discuss in depth the key types of data emitted by IT Operations activities, the scale and challenges in analyzing them, and where they can be helpful. We categorize the key AIOps tasks as - incident detection, failure prediction, root cause analysis and automated actions. We discuss the problem formulation for each task, and then present a taxonomy of techniques to solve these problems. We also identify relatively under explored topics, especially those that could significantly benefit from advances in AI literature. We also provide insights into the trends in this field, and what are the key investment opportunities.

Qiheng Mao, Zemin Liu, Chenghao Liu et al.

Recent studies have highlighted the limitations of message-passing based graph neural networks (GNNs), e.g., limited model expressiveness, over-smoothing, over-squashing, etc. To alleviate these issues, Graph Transformers (GTs) have been proposed which work in the paradigm that allows message passing to a larger coverage even across the whole graph. Hinging on the global range attention mechanism, GTs have shown a superpower for representation learning on homogeneous graphs. However, the investigation of GTs on heterogeneous information networks (HINs) is still under-exploited. In particular, on account of the existence of heterogeneity, HINs show distinct data characteristics and thus require different treatment. To bridge this gap, in this paper we investigate the representation learning on HINs with Graph Transformer, and propose a novel model named HINormer, which capitalizes on a larger-range aggregation mechanism for node representation learning. In particular, assisted by two major modules, i.e., a local structure encoder and a heterogeneous relation encoder, HINormer can capture both the structural and heterogeneous information of nodes on HINs for comprehensive node representations. We conduct extensive experiments on four HIN benchmark datasets, which demonstrate that our proposed model can outperform the state-of-the-art.

Avishek Joey Bose, Tara Akhound-Sadegh, Guillaume Huguet et al.

The computational design of novel protein structures has the potential to impact numerous scientific disciplines greatly. Toward this goal, we introduce FoldFlow, a series of novel generative models of increasing modeling power based on the flow-matching paradigm over $3\mathrm{D}$ rigid motions -- i.e. the group $\text{SE}(3)$ -- enabling accurate modeling of protein backbones. We first introduce FoldFlow-Base, a simulation-free approach to learning deterministic continuous-time dynamics and matching invariant target distributions on $\text{SE}(3)$. We next accelerate training by incorporating Riemannian optimal transport to create FoldFlow-OT, leading to the construction of both more simple and stable flows. Finally, we design FoldFlow-SFM, coupling both Riemannian OT and simulation-free training to learn stochastic continuous-time dynamics over $\text{SE}(3)$. Our family of FoldFlow, generative models offers several key advantages over previous approaches to the generative modeling of proteins: they are more stable and faster to train than diffusion-based approaches, and our models enjoy the ability to map any invariant source distribution to any invariant target distribution over $\text{SE}(3)$. Empirically, we validate FoldFlow, on protein backbone generation of up to $300$ amino acids leading to high-quality designable, diverse, and novel samples.

Chenghao Liu, Xiaoyang Qu, Jianzong Wang et al.

Federated Learning (FL) has been widely concerned for it enables decentralized learning while ensuring data privacy. However, most existing methods unrealistically assume that the classes encountered by local clients are fixed over time. After learning new classes, this assumption will make the model's catastrophic forgetting of old classes significantly severe. Moreover, due to the limitation of communication cost, it is challenging to use large-scale models in FL, which will affect the prediction accuracy. To address these challenges, we propose a novel framework, Federated Enhanced Transformer (FedET), which simultaneously achieves high accuracy and low communication cost. Specifically, FedET uses Enhancer, a tiny module, to absorb and communicate new knowledge, and applies pre-trained Transformers combined with different Enhancers to ensure high precision on various tasks. To address local forgetting caused by new classes of new tasks and global forgetting brought by non-i.i.d (non-independent and identically distributed) class imbalance across different local clients, we proposed an Enhancer distillation method to modify the imbalance between old and new knowledge and repair the non-i.i.d. problem. Experimental results demonstrate that FedET's average accuracy on representative benchmark datasets is 14.1% higher than the state-of-the-art method, while FedET saves 90% of the communication cost compared to the previous method.

Mouxiang Chen, Chenghao Liu, Zemin Liu et al.

Unbiased Learning to Rank (ULTR) aims to train unbiased ranking models from biased click logs, by explicitly modeling a generation process for user behavior and fitting click data based on examination hypothesis. Previous research found empirically that the true latent relevance is mostly recoverable through click fitting. However, we demonstrate that this is not always achievable, resulting in a significant reduction in ranking performance. This research investigates the conditions under which relevance can be recovered from click data in the first principle. We initially characterize a ranking model as identifiable if it can recover the true relevance up to a scaling transformation, a criterion sufficient for the pairwise ranking objective. Subsequently, we investigate an equivalent condition for identifiability, articulated as a graph connectivity test problem: the recovery of relevance is feasible if and only if the identifiability graph (IG), derived from the underlying structure of the dataset, is connected. The presence of a disconnected IG may lead to degenerate cases and suboptimal ranking performance. To tackle this challenge, we introduce two methods, namely node intervention and node merging, designed to modify the dataset and restore the connectivity of the IG. Empirical results derived from a simulated dataset and two real-world LTR benchmark datasets not only validate our proposed theory but also demonstrate the effectiveness of our methods in alleviating data bias when the relevance model is unidentifiable.

Jiachen Zhang, Junyi Lao, Chenghao Liu et al.

Finite Element Analysis (FEA) serves as the cornerstone of modern engineering design. However, its workflow is inherently complex and relies heavily on domain expertise. Although recent efforts have integrated Large Language Models (LLMs) into FEA, existing approaches face limitations in handling multimodal inputs and executing complex tasks. To address these limitations, we propose VFEAgent, an end-to-end multi-agent system designed to automate FEA modeling and simulation directly from input images and problem descriptions. Our methodology integrates two core components: (1) a multimodal vision-language multi-agent pipeline that employs ReAct-driven reasoning to extract structured FEA specifications from heterogeneous inputs and (2) a verification-first code synthesis framework, incorporating robust self-debugging and fallback mechanisms to ensure executability and physical validity. We systematically evaluated the system across various engineering mechanics scenarios. The results demonstrate that VFEAgent achieves a high success rate in generating complete and physically valid simulations, outperforming LLM-based baseline methods in reliability and correctness. These findings validate the feasibility of automating the complete FEA workflow, highlighting the framework's potential to liberate engineers from tedious manual analysis.

Mouxiang Chen, Lefei Shen, Han Fu et al.

Recent years have witnessed the success of introducing deep learning models to time series forecasting. From a data generation perspective, we illustrate that existing models are susceptible to distribution shifts driven by temporal contexts, whether observed or unobserved. Such context-driven distribution shift (CDS) introduces biases in predictions within specific contexts and poses challenges for conventional training paradigms. In this paper, we introduce a universal calibration methodology for the detection and adaptation of CDS with a trained model. To this end, we propose a novel CDS detector, termed the "residual-based CDS detector" or "Reconditionor", which quantifies the model's vulnerability to CDS by evaluating the mutual information between prediction residuals and their corresponding contexts. A high Reconditionor score indicates a severe susceptibility, thereby necessitating model adaptation. In this circumstance, we put forth a straightforward yet potent adapter framework for model calibration, termed the "sample-level contextualized adapter" or "SOLID". This framework involves the curation of a contextually similar dataset to the provided test sample and the subsequent fine-tuning of the model's prediction layer with a limited number of steps. Our theoretical analysis demonstrates that this adaptation strategy can achieve an optimal bias-variance trade-off. Notably, our proposed Reconditionor and SOLID are model-agnostic and readily adaptable to a wide range of models. Extensive experiments show that SOLID consistently enhances the performance of current forecasting models on real-world datasets, especially on cases with substantial CDS detected by the proposed Reconditionor, thus validating the effectiveness of the calibration approach.

Giang Do, Khiem Le, Quang Pham et al.

By routing input tokens to only a few split experts, Sparse Mixture-of-Experts has enabled efficient training of large language models. Recent findings suggest that fixing the routers can achieve competitive performance by alleviating the collapsing problem, where all experts eventually learn similar representations. However, this strategy has two key limitations: (i) the policy derived from random routers might be sub-optimal, and (ii) it requires extensive resources during training and evaluation, leading to limited efficiency gains. This work introduces \HyperRout, which dynamically generates the router's parameters through a fixed hypernetwork and trainable embeddings to achieve a balance between training the routers and freezing them to learn an improved routing policy. Extensive experiments across a wide range of tasks demonstrate the superior performance and efficiency gains of \HyperRouter compared to existing routing methods. Our implementation is publicly available at {\url{https://github.com/giangdip2410/HyperRouter}}.

Quang Pham, Chenghao Liu, Steven Hoi

Existing continual learning methods use Batch Normalization (BN) to facilitate training and improve generalization across tasks. However, the non-i.i.d and non-stationary nature of continual learning data, especially in the online setting, amplify the discrepancy between training and testing in BN and hinder the performance of older tasks. In this work, we study the cross-task normalization effect of BN in online continual learning where BN normalizes the testing data using moments biased towards the current task, resulting in higher catastrophic forgetting. This limitation motivates us to propose a simple yet effective method that we call Continual Normalization (CN) to facilitate training similar to BN while mitigating its negative effect. Extensive experiments on different continual learning algorithms and online scenarios show that CN is a direct replacement for BN and can provide substantial performance improvements. Our implementation is available at \url{https://github.com/phquang/Continual-Normalization}.

Quang Pham, Chenghao Liu, Doyen Sahoo et al.

The fast adaptation capability of deep neural networks in non-stationary environments is critical for online time series forecasting. Successful solutions require handling changes to new and recurring patterns. However, training deep neural forecaster on the fly is notoriously challenging because of their limited ability to adapt to non-stationary environments and the catastrophic forgetting of old knowledge. In this work, inspired by the Complementary Learning Systems (CLS) theory, we propose Fast and Slow learning Networks (FSNet), a holistic framework for online time-series forecasting to simultaneously deal with abrupt changing and repeating patterns. Particularly, FSNet improves the slowly-learned backbone by dynamically balancing fast adaptation to recent changes and retrieving similar old knowledge. FSNet achieves this mechanism via an interaction between two complementary components of an adapter to monitor each layer's contribution to the lost, and an associative memory to support remembering, updating, and recalling repeating events. Extensive experiments on real and synthetic datasets validate FSNet's efficacy and robustness to both new and recurring patterns. Our code is available at \url{https://github.com/salesforce/fsnet}.

Quang Pham, Doyen Sahoo, Chenghao Liu et al.

Continual learning aims to learn continuously from a stream of tasks and data in an online-learning fashion, being capable of exploiting what was learned previously to improve current and future tasks while still being able to perform well on the previous tasks. One common limitation of many existing continual learning methods is that they often train a model directly on all available training data without validation due to the nature of continual learning, thus suffering poor generalization at test time. In this work, we present a novel framework of continual learning named "Bilevel Continual Learning" (BCL) by unifying a {\it bilevel optimization} objective and a {\it dual memory management} strategy comprising both episodic memory and generalization memory to achieve effective knowledge transfer to future tasks and alleviate catastrophic forgetting on old tasks simultaneously. Our extensive experiments on continual learning benchmarks demonstrate the efficacy of the proposed BCL compared to many state-of-the-art methods. Our implementation is available at https://github.com/phquang/bilevel-continual-learning.

Yue Wu, Steven C. H. Hoi, Chenghao Liu et al.

SOL is an open-source library for scalable online learning algorithms, and is particularly suitable for learning with high-dimensional data. The library provides a family of regular and sparse online learning algorithms for large-scale binary and multi-class classification tasks with high efficiency, scalability, portability, and extensibility. SOL was implemented in C++, and provided with a collection of easy-to-use command-line tools, python wrappers and library calls for users and developers, as well as comprehensive documents for both beginners and advanced users. SOL is not only a practical machine learning toolbox, but also a comprehensive experimental platform for online learning research. Experiments demonstrate that SOL is highly efficient and scalable for large-scale machine learning with high-dimensional data.

Qiheng Mao, Zemin Liu, Chenghao Liu et al.

The integration of Large Language Models (LLMs) with Graph Representation Learning (GRL) marks a significant evolution in analyzing complex data structures. This collaboration harnesses the sophisticated linguistic capabilities of LLMs to improve the contextual understanding and adaptability of graph models, thereby broadening the scope and potential of GRL. Despite a growing body of research dedicated to integrating LLMs into the graph domain, a comprehensive review that deeply analyzes the core components and operations within these models is notably lacking. Our survey fills this gap by proposing a novel taxonomy that breaks down these models into primary components and operation techniques from a novel technical perspective. We further dissect recent literature into two primary components including knowledge extractors and organizers, and two operation techniques including integration and training stratigies, shedding light on effective model design and training strategies. Additionally, we identify and explore potential future research avenues in this nascent yet underexplored field, proposing paths for continued progress.

Zhisheng Lin, Han Fu, Chenghao Liu et al.

Parameter-efficient fine-tuning (PEFT) has emerged as an effective method for adapting pre-trained language models to various tasks efficiently. Recently, there has been a growing interest in transferring knowledge from one or multiple tasks to the downstream target task to achieve performance improvements. However, current approaches typically either train adapters on individual tasks or distill shared knowledge from source tasks, failing to fully exploit task-specific knowledge and the correlation between source and target tasks. To overcome these limitations, we propose PEMT, a novel parameter-efficient fine-tuning framework based on multi-task transfer learning. PEMT extends the mixture-of-experts (MoE) framework to capture the transferable knowledge as a weighted combination of adapters trained on source tasks. These weights are determined by a gated unit, measuring the correlation between the target and each source task using task description prompt vectors. To fully exploit the task-specific knowledge, we also propose the Task Sparsity Loss to improve the sparsity of the gated unit. We conduct experiments on a broad range of tasks over 17 datasets. The experimental results demonstrate our PEMT yields stable improvements over full fine-tuning, and state-of-the-art PEFT and knowledge transferring methods on various tasks. The results highlight the effectiveness of our method which is capable of sufficiently exploiting the knowledge and correlation features across multiple tasks.

Xu Liu, Taha Aksu, Juncheng Liu et al.

Time series analysis is crucial for understanding dynamics of complex systems. Recent advances in foundation models have led to task-agnostic Time Series Foundation Models (TSFMs) and Large Language Model-based Time Series Models (TSLLMs), enabling generalized learning and integrating contextual information. However, their success depends on large, diverse, and high-quality datasets, which are challenging to build due to regulatory, diversity, quality, and quantity constraints. Synthetic data emerge as a viable solution, addressing these challenges by offering scalable, unbiased, and high-quality alternatives. This survey provides a comprehensive review of synthetic data for TSFMs and TSLLMs, analyzing data generation strategies, their role in model pretraining, fine-tuning, and evaluation, and identifying future research directions.

Ziqi Jia, Xiaoyang Qu, Chenghao Liu et al.

Label Distribution Learning (LDL) is an effective approach for handling label ambiguity, as it can analyze all labels at once and indicate the extent to which each label describes a given sample. Most existing LDL methods consider the number of labels to be static. However, in various LDL-specific contexts (e.g., disease diagnosis), the label count grows over time (such as the discovery of new diseases), a factor that existing methods overlook. Learning samples with new labels directly means learning all labels at once, thus wasting more time on the old labels and even risking overfitting the old labels. At the same time, learning new labels by the LDL model means reconstructing the inter-label relationships. How to make use of constructed relationships is also a crucial challenge. To tackle these challenges, we introduce Incremental Label Distribution Learning (ILDL), analyze its key issues regarding training samples and inter-label relationships, and propose Scalable Graph Label Distribution Learning (SGLDL) as a practical framework for implementing ILDL. Specifically, in SGLDL, we develop a New-label-aware Gradient Compensation Loss to speed up the learning of new labels and represent inter-label relationships as a graph to reduce the time required to reconstruct inter-label relationships. Experimental results on the classical LDL dataset show the clear advantages of unique algorithms and illustrate the importance of a dedicated design for the ILDL problem.

Chenghao Liu, Zhihao Wang, Doyen Sahoo et al.

Meta-learning methods have been extensively studied and applied in computer vision, especially for few-shot classification tasks. The key idea of meta-learning for few-shot classification is to mimic the few-shot situations faced at test time by randomly sampling classes in meta-training data to construct few-shot tasks for episodic training. While a rich line of work focuses solely on how to extract meta-knowledge across tasks, we exploit the complementary problem on how to generate informative tasks. We argue that the randomly sampled tasks could be sub-optimal and uninformative (e.g., the task of classifying "dog" from "laptop" is often trivial) to the meta-learner. In this paper, we propose an adaptive task sampling method to improve the generalization performance. Unlike instance based sampling, task based sampling is much more challenging due to the implicit definition of the task in each episode. Therefore, we accordingly propose a greedy class-pair based sampling method, which selects difficult tasks according to class-pair potentials. We evaluate our adaptive task sampling method on two few-shot classification benchmarks, and it achieves consistent improvements across different feature backbones, meta-learning algorithms and datasets.

Kaize Ding, Jianling Wang, Jundong Li et al.

Attributed networks nowadays are ubiquitous in a myriad of high-impact applications, such as social network analysis, financial fraud detection, and drug discovery. As a central analytical task on attributed networks, node classification has received much attention in the research community. In real-world attributed networks, a large portion of node classes only contain limited labeled instances, rendering a long-tail node class distribution. Existing node classification algorithms are unequipped to handle the \textit{few-shot} node classes. As a remedy, few-shot learning has attracted a surge of attention in the research community. Yet, few-shot node classification remains a challenging problem as we need to address the following questions: (i) How to extract meta-knowledge from an attributed network for few-shot node classification? (ii) How to identify the informativeness of each labeled instance for building a robust and effective model? To answer these questions, in this paper, we propose a graph meta-learning framework -- Graph Prototypical Networks (GPN). By constructing a pool of semi-supervised node classification tasks to mimic the real test environment, GPN is able to perform \textit{meta-learning} on an attributed network and derive a highly generalizable model for handling the target classification task. Extensive experiments demonstrate the superior capability of GPN in few-shot node classification.

Hung Le, Doyen Sahoo, Chenghao Liu et al.

Building an end-to-end conversational agent for multi-domain task-oriented dialogues has been an open challenge for two main reasons. First, tracking dialogue states of multiple domains is non-trivial as the dialogue agent must obtain complete states from all relevant domains, some of which might have shared slots among domains as well as unique slots specifically for one domain only. Second, the dialogue agent must also process various types of information across domains, including dialogue context, dialogue states, and database, to generate natural responses to users. Unlike the existing approaches that are often designed to train each module separately, we propose "UniConv" -- a novel unified neural architecture for end-to-end conversational systems in multi-domain task-oriented dialogues, which is designed to jointly train (i) a Bi-level State Tracker which tracks dialogue states by learning signals at both slot and domain level independently, and (ii) a Joint Dialogue Act and Response Generator which incorporates information from various input components and models dialogue acts and target responses simultaneously. We conduct comprehensive experiments in dialogue state tracking, context-to-text, and end-to-end settings on the MultiWOZ2.1 benchmark, achieving superior performance over competitive baselines.

Han Fu, Rui Wu, Chenghao Liu et al.

Nowadays, driven by the increasing concern on diet and health, food computing has attracted enormous attention from both industry and research community. One of the most popular research topics in this domain is Food Retrieval, due to its profound influence on health-oriented applications. In this paper, we focus on the task of cross-modal retrieval between food images and cooking recipes. We present Modality-Consistent Embedding Network (MCEN) that learns modality-invariant representations by projecting images and texts to the same embedding space. To capture the latent alignments between modalities, we incorporate stochastic latent variables to explicitly exploit the interactions between textual and visual features. Importantly, our method learns the cross-modal alignments during training but computes embeddings of different modalities independently at inference time for the sake of efficiency. Extensive experimental results clearly demonstrate that the proposed MCEN outperforms all existing approaches on the benchmark Recipe1M dataset and requires less computational cost.

Hao Wang, Doyen Sahoo, Chenghao Liu et al.

Food retrieval is an important task to perform analysis of food-related information, where we are interested in retrieving relevant information about the queried food item such as ingredients, cooking instructions, etc. In this paper, we investigate cross-modal retrieval between food images and cooking recipes. The goal is to learn an embedding of images and recipes in a common feature space, such that the corresponding image-recipe embeddings lie close to one another. Two major challenges in addressing this problem are 1) large intra-variance and small inter-variance across cross-modal food data; and 2) difficulties in obtaining discriminative recipe representations. To address these two problems, we propose Semantic-Consistent and Attention-based Networks (SCAN), which regularize the embeddings of the two modalities through aligning output semantic probabilities. Besides, we exploit a self-attention mechanism to improve the embedding of recipes. We evaluate the performance of the proposed method on the large-scale Recipe1M dataset, and show that we can outperform several state-of-the-art cross-modal retrieval strategies for food images and cooking recipes by a significant margin.

Han Fu, Chenghao Liu, Jianling Sun

Neural Machine Translation (NMT) has achieved notable success in recent years. Such a framework usually generates translations in isolation. In contrast, human translators often refer to reference data, either rephrasing the intricate sentence fragments with common terms in source language, or just accessing to the golden translation directly. In this paper, we propose a Reference Network to incorporate referring process into translation decoding of NMT. To construct a \emph{reference book}, an intuitive way is to store the detailed translation history with extra memory, which is computationally expensive. Instead, we employ Local Coordinates Coding (LCC) to obtain global context vectors containing monolingual and bilingual contextual information for NMT decoding. Experimental results on Chinese-English and English-German tasks demonstrate that our proposed model is effective in improving the translation quality with lightweight computation cost.

Kaize Ding, Yichuan Li, Jundong Li et al.

Inspired by the immense success of deep learning, graph neural networks (GNNs) are widely used to learn powerful node representations and have demonstrated promising performance on different graph learning tasks. However, most real-world graphs often come with high-dimensional and sparse node features, rendering the learned node representations from existing GNN architectures less expressive. In this paper, we propose \textit{Feature Interaction-aware Graph Neural Networks (FI-GNNs)}, a plug-and-play GNN framework for learning node representations encoded with informative feature interactions. Specifically, the proposed framework is able to highlight informative feature interactions in a personalized manner and further learn highly expressive node representations on feature-sparse graphs. Extensive experiments on various datasets demonstrate the superior capability of FI-GNNs for graph learning tasks.

Chenghao Liu, Tao Lu, Xin Wang et al.

Efficiency is crucial to the online recommender systems. Representing users and items as binary vectors for Collaborative Filtering (CF) can achieve fast user-item affinity computation in the Hamming space, in recent years, we have witnessed an emerging research effort in exploiting binary hashing techniques for CF methods. However, CF with binary codes naturally suffers from low accuracy due to limited representation capability in each bit, which impedes it from modeling complex structure of the data. In this work, we attempt to improve the efficiency without hurting the model performance by utilizing both the accuracy of real-valued vectors and the efficiency of binary codes to represent users/items. In particular, we propose the Compositional Coding for Collaborative Filtering (CCCF) framework, which not only gains better recommendation efficiency than the state-of-the-art binarized CF approaches but also achieves even higher accuracy than the real-valued CF method. Specifically, CCCF innovatively represents each user/item with a set of binary vectors, which are associated with a sparse real-value weight vector. Each value of the weight vector encodes the importance of the corresponding binary vector to the user/item. The continuous weight vectors greatly enhances the representation capability of binary codes, and its sparsity guarantees the processing speed. Furthermore, an integer weight approximation scheme is proposed to further accelerate the speed. Based on the CCCF framework, we design an efficient discrete optimization algorithm to learn its parameters. Extensive experiments on three real-world datasets show that our method outperforms the state-of-the-art binarized CF methods (even achieves better performance than the real-valued CF method) by a large margin in terms of both recommendation accuracy and efficiency.

Hao Wang, Doyen Sahoo, Chenghao Liu et al.

Food computing is playing an increasingly important role in human daily life, and has found tremendous applications in guiding human behavior towards smart food consumption and healthy lifestyle. An important task under the food-computing umbrella is retrieval, which is particularly helpful for health related applications, where we are interested in retrieving important information about food (e.g., ingredients, nutrition, etc.). In this paper, we investigate an open research task of cross-modal retrieval between cooking recipes and food images, and propose a novel framework Adversarial Cross-Modal Embedding (ACME) to resolve the cross-modal retrieval task in food domains. Specifically, the goal is to learn a common embedding feature space between the two modalities, in which our approach consists of several novel ideas: (i) learning by using a new triplet loss scheme together with an effective sampling strategy, (ii) imposing modality alignment using an adversarial learning strategy, and (iii) imposing cross-modal translation consistency such that the embedding of one modality is able to recover some important information of corresponding instances in the other modality. ACME achieves the state-of-the-art performance on the benchmark Recipe1M dataset, validating the efficacy of the proposed technique.

Yong Liu, Min Wu, Chenghao Liu et al.

Synthetic lethality (SL) is a promising concept for novel discovery of anti-cancer drug targets. However, wet-lab experiments for detecting SLs are faced with various challenges, such as high cost, low consistency across platforms or cell lines. Therefore, computational prediction methods are needed to address these issues. This paper proposes a novel SL prediction method, named SL2MF, which employs logistic matrix factorization to learn latent representations of genes from the observed SL data. The probability that two genes are likely to form SL is modeled by the linear combination of gene latent vectors. As known SL pairs are more trustworthy than unknown pairs, we design importance weighting schemes to assign higher importance weights for known SL pairs and lower importance weights for unknown pairs in SL2MF. Moreover, we also incorporate biological knowledge about genes from protein-protein interaction (PPI) data and Gene Ontology (GO). In particular, we calculate the similarity between genes based on their GO annotations and topological properties in the PPI network. Extensive experiments on the SL interaction data from SynLethDB database have been conducted to demonstrate the effectiveness of SL2MF.

Doyen Sahoo, Chenghao Liu, Steven C. H. Hoi

Malicious URL, a.k.a. malicious website, is a common and serious threat to cybersecurity. Malicious URLs host unsolicited content (spam, phishing, drive-by exploits, etc.) and lure unsuspecting users to become victims of scams (monetary loss, theft of private information, and malware installation), and cause losses of billions of dollars every year. It is imperative to detect and act on such threats in a timely manner. Traditionally, this detection is done mostly through the usage of blacklists. However, blacklists cannot be exhaustive, and lack the ability to detect newly generated malicious URLs. To improve the generality of malicious URL detectors, machine learning techniques have been explored with increasing attention in recent years. This article aims to provide a comprehensive survey and a structural understanding of Malicious URL Detection techniques using machine learning. We present the formal formulation of Malicious URL Detection as a machine learning task, and categorize and review the contributions of literature studies that addresses different dimensions of this problem (feature representation, algorithm design, etc.). Further, this article provides a timely and comprehensive survey for a range of different audiences, not only for machine learning researchers and engineers in academia, but also for professionals and practitioners in cybersecurity industry, to help them understand the state of the art and facilitate their own research and practical applications. We also discuss practical issues in system design, open research challenges, and point out some important directions for future research.

Chenghao Liu, Tao Jin, Steven C. H. Hoi et al.

Collaborative Topic Regression (CTR) combines ideas of probabilistic matrix factorization (PMF) and topic modeling (e.g., LDA) for recommender systems, which has gained increasing successes in many applications. Despite enjoying many advantages, the existing CTR algorithms have some critical limitations. First of all, they are often designed to work in a batch learning manner, making them unsuitable to deal with streaming data or big data in real-world recommender systems. Second, the document-specific topic proportions of LDA are fed to the downstream PMF, but not reverse, which is sub-optimal as the rating information is not exploited in discovering the low-dimensional representation of documents and thus can result in a sub-optimal representation for prediction. In this paper, we propose a novel scheme of Online Bayesian Collaborative Topic Regression (OBCTR) which is efficient and scalable for learning from data streams. Particularly, we {\it jointly} optimize the combined objective function of both PMF and LDA in an online learning fashion, in which both PMF and LDA tasks can be reinforced each other during the online learning process. Our encouraging experimental results on real-world data validate the effectiveness of the proposed method.