Physics-Guided Foundation Model for Scientific Discovery: An Application to Aquatic Science

Physics-guided machine learning (PGML) has become a prevalent approach in studying scientific systems due to its ability to integrate scientific theories for enhancing machine learning (ML) models. However, most PGML approaches are tailored to isolated and relatively simple tasks, which limits their applicability to complex systems involving multiple interacting processes and numerous influencing features. In this paper, we propose a \textit{\textbf{P}hysics-\textbf{G}uided \textbf{F}oundation \textbf{M}odel (\textbf{PGFM})} that combines pre-trained ML models and physics-based models and leverages their complementary strengths to improve the modeling of multiple coupled processes. To effectively conduct pre-training, we construct a simulated environmental system that encompasses a wide range of influencing features and various simulated variables generated by physics-based models. The model is pre-trained in this system to adaptively select important feature interactions guided by multi-task objectives. We then fine-tune the model for each specific task using true observations, while maintaining consistency with established physical theories, such as the principles of mass and energy conservation. We demonstrate the effectiveness of this methodology in modeling water temperature and dissolved oxygen dynamics in real-world lakes. The proposed PGFM is also broadly applicable to a range of scientific fields where physics-based models are being used.

Multi-granularity Interest Retrieval and Refinement Network for Long-Term User Behavior Modeling in CTR Prediction

Click-through Rate (CTR) prediction is crucial for online personalization platforms. Recent advancements have shown that modeling rich user behaviors can significantly improve the performance of CTR prediction. Current long-term user behavior modeling algorithms predominantly follow two cascading stages. The first stage retrieves subsequence related to the target item from the long-term behavior sequence, while the second stage models the relationship between the subsequence and the target item. Despite significant progress, these methods have two critical flaws. First, the retrieval query typically includes only target item information, limiting the ability to capture the user's diverse interests. Second, relational information, such as sequential and interactive information within the subsequence, is frequently overlooked. Therefore, it requires to be further mined to more accurately model user interests. To this end, we propose Multi-granularity Interest Retrieval and Refinement Network (MIRRN). Specifically, we first construct queries based on behaviors observed at different time scales to obtain subsequences, each capturing users' interest at various granularities. We then introduce an noval multi-head Fourier transformer to efficiently learn sequential and interactive information within the subsequences, leading to more accurate modeling of user interests. Finally, we employ multi-head target attention to adaptively assess the impact of these multi-granularity interests on the target item. Extensive experiments have demonstrated that MIRRN significantly outperforms state-of-the-art baselines. Furthermore, an A/B test shows that MIRRN increases the average number of listening songs by 1.32% and the average time of listening songs by 0.55% on a popular music streaming app. The implementation code is publicly available at https://github.com/psycho-demon/MIRRN.

Adaptive Process-Guided Learning: An Application in Predicting Lake DO Concentrations

This paper introduces a \textit{Process-Guided Learning (Pril)} framework that integrates physical models with recurrent neural networks (RNNs) to enhance the prediction of dissolved oxygen (DO) concentrations in lakes, which is crucial for sustaining water quality and ecosystem health. Unlike traditional RNNs, which may deliver high accuracy but often lack physical consistency and broad applicability, the \textit{Pril} method incorporates differential DO equations for each lake layer, modeling it as a first-order linear solution using a forward Euler scheme with a daily timestep. However, this method is sensitive to numerical instabilities. When drastic fluctuations occur, the numerical integration is neither mass-conservative nor stable. Especially during stratified conditions, exogenous fluxes into each layer cause significant within-day changes in DO concentrations. To address this challenge, we further propose an \textit{Adaptive Process-Guided Learning (April)} model, which dynamically adjusts timesteps from daily to sub-daily intervals with the aim of mitigating the discrepancies caused by variations in entrainment fluxes. \textit{April} uses a generator-discriminator architecture to identify days with significant DO fluctuations and employs a multi-step Euler scheme with sub-daily timesteps to effectively manage these variations. We have tested our methods on a wide range of lakes in the Midwestern USA, and demonstrated robust capability in predicting DO concentrations even with limited training data. While primarily focused on aquatic ecosystems, this approach is broadly applicable to diverse scientific and engineering disciplines that utilize process-based models, such as power engineering, climate science, and biomedicine.

Harnessing Multimodal Large Language Models for Multimodal Sequential Recommendation

Recent advances in Large Language Models (LLMs) have demonstrated significant potential in the field of Recommendation Systems (RSs). Most existing studies have focused on converting user behavior logs into textual prompts and leveraging techniques such as prompt tuning to enable LLMs for recommendation tasks. Meanwhile, research interest has recently grown in multimodal recommendation systems that integrate data from images, text, and other sources using modality fusion techniques. This introduces new challenges to the existing LLM-based recommendation paradigm which relies solely on text modality information. Moreover, although Multimodal Large Language Models (MLLMs) capable of processing multi-modal inputs have emerged, how to equip MLLMs with multi-modal recommendation capabilities remains largely unexplored. To this end, in this paper, we propose the Multimodal Large Language Model-enhanced Multimodaln Sequential Recommendation (MLLM-MSR) model. To capture the dynamic user preference, we design a two-stage user preference summarization method. Specifically, we first utilize an MLLM-based item-summarizer to extract image feature given an item and convert the image into text. Then, we employ a recurrent user preference summarization generation paradigm to capture the dynamic changes in user preferences based on an LLM-based user-summarizer. Finally, to enable the MLLM for multi-modal recommendation task, we propose to fine-tune a MLLM-based recommender using Supervised Fine-Tuning (SFT) techniques. Extensive evaluations across various datasets validate the effectiveness of MLLM-MSR, showcasing its superior ability to capture and adapt to the evolving dynamics of user preferences.

PAIL: Performance based Adversarial Imitation Learning Engine for Carbon Neutral Optimization

Achieving carbon neutrality within industrial operations has become increasingly imperative for sustainable development. It is both a significant challenge and a key opportunity for operational optimization in industry 4.0. In recent years, Deep Reinforcement Learning (DRL) based methods offer promising enhancements for sequential optimization processes and can be used for reducing carbon emissions. However, existing DRL methods need a pre-defined reward function to assess the impact of each action on the final sustainable development goals (SDG). In many real applications, such a reward function cannot be given in advance. To address the problem, this study proposes a Performance based Adversarial Imitation Learning (PAIL) engine. It is a novel method to acquire optimal operational policies for carbon neutrality without any pre-defined action rewards. Specifically, PAIL employs a Transformer-based policy generator to encode historical information and predict following actions within a multi-dimensional space. The entire action sequence will be iteratively updated by an environmental simulator. Then PAIL uses a discriminator to minimize the discrepancy between generated sequences and real-world samples of high SDG. In parallel, a Q-learning framework based performance estimator is designed to estimate the impact of each action on SDG. Based on these estimations, PAIL refines generated policies with the rewards from both discriminator and performance estimator. PAIL is evaluated on multiple real-world application cases and datasets. The experiment results demonstrate the effectiveness of PAIL comparing to other state-of-the-art baselines. In addition, PAIL offers meaningful interpretability for the optimization in carbon neutrality.

Cognitive Evolutionary Learning to Select Feature Interactions for Recommender Systems

Feature interaction selection is a fundamental problem in commercial recommender systems. Most approaches equally enumerate all features and interactions by the same pre-defined operation under expert guidance. Their recommendation is unsatisfactory sometimes due to the following issues: (1)~They cannot ensure the learning abilities of models because their architectures are poorly adaptable to tasks and data; (2)~Useless features and interactions can bring unnecessary noise and complicate the training process. In this paper, we aim to adaptively evolve the model to select appropriate operations, features, and interactions under task guidance. Inspired by the evolution and functioning of natural organisms, we propose a novel \textsl{Cognitive EvoLutionary Learning (CELL)} framework, where cognitive ability refers to a property of organisms that allows them to react and survive in diverse environments. It consists of three stages, i.e., DNA search, genome search, and model functioning. Specifically, if we regard the relationship between models and tasks as the relationship between organisms and natural environments, interactions of feature pairs can be analogous to double-stranded DNA, of which relevant features and interactions can be analogous to genomes. Along this line, we diagnose the fitness of the model on operations, features, and interactions to simulate the survival rates of organisms for natural selection. We show that CELL can adaptively evolve into different models for different tasks and data, which enables practitioners to access off-the-shelf models. Extensive experiments on four real-world datasets demonstrate that CELL significantly outperforms state-of-the-art baselines. Also, we conduct synthetic experiments to ascertain that CELL can consistently discover the pre-defined interaction patterns for feature pairs.

FREE: The Foundational Semantic Recognition for Modeling Environmental Ecosystems

Modeling environmental ecosystems is critical for the sustainability of our planet, but is extremely challenging due to the complex underlying processes driven by interactions amongst a large number of physical variables. As many variables are difficult to measure at large scales, existing works often utilize a combination of observable features and locally available measurements or modeled values as input to build models for a specific study region and time period. This raises a fundamental question in advancing the modeling of environmental ecosystems: how to build a general framework for modeling the complex relationships amongst various environmental data over space and time? In this paper, we introduce a new framework, FREE, which maps available environmental data into a text space and then converts the traditional predictive modeling task in environmental science to the semantic recognition problem. The proposed FREE framework leverages recent advances in Large Language Models (LLMs) to supplement the original input features with natural language descriptions. This facilitates capturing the data semantics and also allows harnessing the irregularities of input features. When used for long-term prediction, FREE has the flexibility to incorporate newly collected observations to enhance future prediction. The efficacy of FREE is evaluated in the context of two societally important real-world applications, predicting stream water temperature in the Delaware River Basin and predicting annual corn yield in Illinois and Iowa. Beyond the superior predictive performance over multiple baseline methods, FREE is shown to be more data- and computation-efficient as it can be pre-trained on simulated data generated by physics-based models.

Untargeted Attack against Federated Recommendation Systems via Poisonous Item Embeddings and the Defense

Federated recommendation (FedRec) can train personalized recommenders without collecting user data, but the decentralized nature makes it susceptible to poisoning attacks. Most previous studies focus on the targeted attack to promote certain items, while the untargeted attack that aims to degrade the overall performance of the FedRec system remains less explored. In fact, untargeted attacks can disrupt the user experience and bring severe financial loss to the service provider. However, existing untargeted attack methods are either inapplicable or ineffective against FedRec systems. In this paper, we delve into the untargeted attack and its defense for FedRec systems. (i) We propose ClusterAttack, a novel untargeted attack method. It uploads poisonous gradients that converge the item embeddings into several dense clusters, which make the recommender generate similar scores for these items in the same cluster and perturb the ranking order. (ii) We propose a uniformity-based defense mechanism (UNION) to protect FedRec systems from such attacks. We design a contrastive learning task that regularizes the item embeddings toward a uniform distribution. Then the server filters out these malicious gradients by estimating the uniformity of updated item embeddings. Experiments on two public datasets show that ClusterAttack can effectively degrade the performance of FedRec systems while circumventing many defense methods, and UNION can improve the resistance of the system against various untargeted attacks, including our ClusterAttack.

XCrossNet: Feature Structure-Oriented Learning for Click-Through Rate Prediction

Click-Through Rate (CTR) prediction is a core task in nowadays commercial recommender systems. Feature crossing, as the mainline of research on CTR prediction, has shown a promising way to enhance predictive performance. Even though various models are able to learn feature interactions without manual feature engineering, they rarely attempt to individually learn representations for different feature structures. In particular, they mainly focus on the modeling of cross sparse features but neglect to specifically represent cross dense features. Motivated by this, we propose a novel Extreme Cross Network, abbreviated XCrossNet, which aims at learning dense and sparse feature interactions in an explicit manner. XCrossNet as a feature structure-oriented model leads to a more expressive representation and a more precise CTR prediction, which is not only explicit and interpretable, but also time-efficient and easy to implement. Experimental studies on Criteo Kaggle dataset show significant improvement of XCrossNet over state-of-the-art models on both effectiveness and efficiency.

Deep Technology Tracing for High-tech Companies

Technological change and innovation are vitally important, especially for high-tech companies. However, factors influencing their future research and development (R&D) trends are both complicated and various, leading it a quite difficult task to make technology tracing for high-tech companies. To this end, in this paper, we develop a novel data-driven solution, i.e., Deep Technology Forecasting (DTF) framework, to automatically find the most possible technology directions customized to each high-tech company. Specially, DTF consists of three components: Potential Competitor Recognition (PCR), Collaborative Technology Recognition (CTR), and Deep Technology Tracing (DTT) neural network. For one thing, PCR and CTR aim to capture competitive relations among enterprises and collaborative relations among technologies, respectively. For another, DTT is designed for modeling dynamic interactions between companies and technologies with the above relations involved. Finally, we evaluate our DTF framework on real-world patent data, and the experimental results clearly prove that DTF can precisely help to prospect future technology emphasis of companies by exploiting hybrid factors.