OpenRaiser/Intern-Atlas huggingface dataset:
Concentration Tail-Bound Analysis of Coevolutionary and Bandit Learning Algorithms
Venue: Conference IJCAI 2024
Year: 2024

Runtime analysis, as a branch of the theory of AI, studies how the number of iterations algorithms take before finding a solution (its runtime) depends on the design of the algorithm and the problem structure. Drift analysis is a state-of-the-art tool for estimating the runtime of randomised algorithms, such as evolutionary and bandit algorithms. Drift refers roughly to the expected progress towards the optimum per iteration. This paper considers the problem of deriving concentration tail-bounds on the runtime/regret of algorithms. It provides a novel drift theorem that gives precise exponential tail-bounds given positive, weak, zero and even negative drift. Previously, such exponential tail bounds were missing in the case of weak, zero, or negative drift. Our drift theorem can be used to prove a strong concentration of the runtime/regret of algorithms in AI. For example, we prove that the regret of the \rwab bandit algorithm is highly concentrated, while previous analyses only considered the expected regret. This means that the algorithm obtains the optimum within a given time frame with high probability, i.e. a form of algorithm reliability. Moreover, our theorem implies that the time needed by the co-evolutionary algorithm RLS-PD to obtain a Nash equilibrium in a \bilinear max-min-benchmark problem is highly concentrated. However, we also prove that the algorithm forgets the Nash equilibrium, and the time until this occurs is highly concentrated. This highlights a weakness in the RLS-PD which should be addressed by future work.
Cross-Problem Learning for Solving Vehicle Routing Problems
Venue: Conference IJCAI 2024
Year: 2024

Existing neural heuristics often train a deep architecture from scratch for each specific vehicle routing problem (VRP), ignoring the transferable knowledge across different VRP variants. This paper proposes the cross-problem learning to assist heuristics training for different downstream VRP variants. Particularly, we modularize neural architectures for complex VRPs into 1) the backbone Transformer for tackling the travelling salesman problem (TSP), and 2) the additional lightweight modules for processing problem-specific features in complex VRPs. Accordingly, we propose to pre-train the backbone Transformer for TSP, and then apply it in the process of fine-tuning the Transformer models for each target VRP variant. On the one hand, we fully fine-tune the trained backbone Transformer and problem-specific modules simultaneously. On the other hand, we only fine-tune small adapter networks along with the modules, keeping the backbone Transformer still. Extensive experiments on typical VRPs substantiate that 1) the full fine-tuning achieves significantly better performance than the one trained from scratch, and 2) the adapter-based fine-tuning also delivers comparable performance while being notably parameter-efficient. Furthermore, we empirically demonstrate the favorable effect of our method in terms of cross-distribution application and versatility.
Peptide Vaccine Design by Evolutionary Multi-Objective Optimization
Venue: Conference IJCAI 2024
Year: 2024

Peptide vaccines are growing in significance for fighting diverse diseases. Machine learning has improved the identification of peptides that can trigger immune responses, and the main challenge of peptide vaccine design now lies in selecting an effective subset of peptides due to the allelic diversity among individuals. Previous works mainly formulated this task as a constrained optimization problem, aiming to maximize the expected number of peptide-Major Histocompatibility Complex (peptide-MHC) bindings across a broad range of populations by selecting a subset of diverse peptides with limited size; and employed a greedy algorithm, whose performance, however, may be limited due to the greedy nature. In this paper, we propose a new framework PVD-EMO based on Evolutionary Multi-objective Optimization, which reformulates Peptide Vaccine Design as a bi-objective optimization problem that maximizes the expected number of peptide-MHC bindings and minimizes the number of selected peptides simultaneously, and employs a Multi-Objective Evolutionary Algorithm (MOEA) to solve it. We also incorporate warm-start and repair strategies into MOEAs to improve efficiency and performance. We prove that the warm-start strategy ensures that PVD-EMO maintains the same worst-case approximation guarantee as the previous greedy algorithm, and meanwhile, the EMO framework can help avoid local optima. Experiments on a peptide vaccine design for COVID-19, caused by the SARS-CoV-2 virus, demonstrate the superiority of PVD-EMO.
Prompt Learning for Generalized Vehicle Routing
Venue: Conference IJCAI 2024
Year: 2024

Neural combinatorial optimization (NCO) is a promising learning-based approach to solving various vehicle routing problems without much manual algorithm design. However, the current NCO methods mainly focus on the in-distribution performance, while the real-world problem instances usually come from different distributions. A costly fine-tuning approach or generalized model retraining from scratch could be needed to tackle the out-of-distribution instances. Unlike the existing methods, this work investigates an efficient prompt learning approach in NCO for cross-distribution adaptation. To be concrete, we propose a novel prompt learning method to facilitate fast zero-shot adaptation of a pre-trained model to solve routing problem instances from different distributions. The proposed model learns a set of prompts among various distributions and then selects the best-matched one to prompt a pre-trained attention model for each problem instance. Extensive experiments show that the proposed prompt learning approach facilitates the fast adaptation of pre-trained routing models. It also outperforms existing generalized models on both in-distribution prediction and zero-shot generalization to a diverse set of new tasks. Our code implementation is available online https://github.com/FeiLiu36/PromptVRP.
Finding Increasingly Large Extremal Graphs with AlphaZero and Tabu Search
Venue: Conference IJCAI 2024
Year: 2024

This work studies a central extremal graph theory problem inspired by a 1975 conjecture of Erdős, which aims to find graphs with a given size (number of nodes) that maximize the number of edges without having 3- or 4-cycles. We formulate this problem as a sequential decision-making problem and compare AlphaZero, a neural network-guided tree search, with tabu search, a heuristic local search method. Using either method, by introducing a curriculum -- jump-starting the search for larger graphs using good graphs found at smaller sizes -- we improve the state-of-the-art lower bounds for several sizes. We also propose a flexible graph-generation environment and a permutation-invariant network architecture for learning to search in the space of graphs.
Quality-Diversity Algorithms Can Provably Be Helpful for Optimization
Venue: Conference IJCAI 2024
Year: 2024

Quality-Diversity (QD) algorithms are a new type of Evolutionary Algorithms (EAs), aiming to find a set of high-performing, yet diverse solutions. They have found many successful applications in reinforcement learning and robotics, helping improve the robustness in complex environments. Furthermore, they often empirically find a better overall solution than traditional search algorithms which explicitly search for a single highest-performing solution. However, their theoretical analysis is far behind, leaving many fundamental questions unexplored. In this paper, we try to shed some light on the optimization ability of QD algorithms via rigorous running time analysis. By comparing the popular QD algorithm MAP-Elites with $(μ+1)$-EA (a typical EA focusing on finding better objective values only), we prove that on two NP-hard problem classes with wide applications, i.e., monotone approximately submodular maximization with a size constraint, and set cover, MAP-Elites can achieve the (asymptotically) optimal polynomial-time approximation ratio, while $(μ+1)$-EA requires exponential expected time on some instances. This provides theoretical justification for that QD algorithms can be helpful for optimization, and discloses that the simultaneous search for high-performing solutions with diverse behaviors can provide stepping stones to good overall solutions and help avoid local optima.
Expected Work Search: Combining Win Rate and Proof Size Estimation
Venue: Conference IJCAI 2024
Year: 2024

We propose Expected Work Search (EWS), a new game solving algorithm. EWS combines win rate estimation, as used in Monte Carlo Tree Search, with proof size estimation, as used in Proof Number Search. The search efficiency of EWS stems from minimizing a novel notion of Expected Work, which predicts the expected computation required to solve a position. EWS outperforms traditional solving algorithms on the games of Go and Hex. For Go, we present the first solution to the empty 5x5 board with the commonly used positional superko ruleset. For Hex, our algorithm solves the empty 8x8 board in under 4 minutes. Experiments show that EWS succeeds both with and without extensive domain-specific knowledge.
Maintaining Diversity Provably Helps in Evolutionary Multimodal Optimization
Venue: Conference IJCAI 2024
Year: 2024

In the real world, there exist a class of optimization problems that multiple (local) optimal solutions in the solution space correspond to a single point in the objective space. In this paper, we theoretically show that for such multimodal problems, a simple method that considers the diversity of solutions in the solution space can benefit the search in evolutionary algorithms (EAs). Specifically, we prove that the proposed method, working with crossover, can help enhance the exploration, leading to polynomial or even exponential acceleration on the expected running time. This result is derived by rigorous running time analysis in both single-objective and multi-objective scenarios, including $(μ+1)$-GA solving the widely studied single-objective problem, Jump, and NSGA-II and SMS-EMOA (two well-established multi-objective EAs) solving the widely studied bi-objective problem, OneJumpZeroJump. Experiments are also conducted to validate the theoretical results. We hope that our results may encourage the exploration of diversity maintenance in the solution space for multi-objective optimization, where existing EAs usually only consider the diversity in the objective space and can easily be trapped in local optima.
Improved Evolutionary Algorithms for Submodular Maximization with Cost Constraints
Venue: Conference IJCAI 2024
Year: 2024

We present an evolutionary algorithm evo-SMC for the problem of Submodular Maximization under Cost constraints (SMC). Our algorithm achieves $1/2$-approximation with a high probability $1-1/n$ within $\mathcal{O}(n^2K_β)$ iterations, where $K_β$ denotes the maximum size of a feasible solution set with cost constraint $β$. To the best of our knowledge, this is the best approximation guarantee offered by evolutionary algorithms for this problem. We further refine evo-SMC, and develop st-evo-SMC. This stochastic version yields a significantly faster algorithm while maintaining the approximation ratio of $1/2$, with probability $1-ε$. The required number of iterations reduces to $\mathcal{O}(nK_β\log{(1/ε)}/p)$, where the user defined parameters $p \in (0,1]$ represents the stochasticity probability, and $ε\in (0,1]$ denotes the error threshold. Finally, the empirical evaluations carried out through extensive experimentation substantiate the efficiency and effectiveness of our proposed algorithms. Our algorithms consistently outperform existing methods, producing higher-quality solutions.
A New Paradigm for Counterfactual Reasoning in Fairness and Recourse
Venue: Conference IJCAI 2024
Year: 2024

Counterfactuals and counterfactual reasoning underpin numerous techniques for auditing and understanding artificial intelligence (AI) systems. The traditional paradigm for counterfactual reasoning in this literature is the interventional counterfactual, where hypothetical interventions are imagined and simulated. For this reason, the starting point for causal reasoning about legal protections and demographic data in AI is an imagined intervention on a legally-protected characteristic, such as ethnicity, race, gender, disability, age, etc. We ask, for example, what would have happened had your race been different? An inherent limitation of this paradigm is that some demographic interventions -- like interventions on race -- may not translate into the formalisms of interventional counterfactuals. In this work, we explore a new paradigm based instead on the backtracking counterfactual, where rather than imagine hypothetical interventions on legally-protected characteristics, we imagine alternate initial conditions while holding these characteristics fixed. We ask instead, what would explain a counterfactual outcome for you as you actually are or could be? This alternate framework allows us to address many of the same social concerns, but to do so while asking fundamentally different questions that do not rely on demographic interventions.
Functional Graph Convolutional Networks: A Unified Multi-task and Multi-modal Learning Framework to Facilitate Health and Social-Care Insights
Venue: Conference IJCAI 2024
Year: 2024

This paper introduces a novel Functional Graph Convolutional Network (funGCN) framework that combines Functional Data Analysis and Graph Convolutional Networks to address the complexities of multi-task and multi-modal learning in digital health and longitudinal studies. With the growing importance of health solutions to improve health care and social support, ensure healthy lives, and promote well-being at all ages, funGCN offers a unified approach to handle multivariate longitudinal data for multiple entities and ensures interpretability even with small sample sizes. Key innovations include task-specific embedding components that manage different data types, the ability to perform classification, regression, and forecasting, and the creation of a knowledge graph for insightful data interpretation. The efficacy of funGCN is validated through simulation experiments and a real-data application.
An Embarrassingly Simple Approach to Enhance Transformer Performance in Genomic Selection for Crop Breeding
Venue: Conference IJCAI 2024
Year: 2024

Genomic selection (GS), as a critical crop breeding strategy, plays a key role in enhancing food production and addressing the global hunger crisis. The predominant approaches in GS currently revolve around employing statistical methods for prediction. However, statistical methods often come with two main limitations: strong statistical priors and linear assumptions. A recent trend is to capture the non-linear relationships between markers by deep learning. However, as crop datasets are commonly long sequences with limited samples, the robustness of deep learning models, especially Transformers, remains a challenge. In this work, to unleash the unexplored potential of attention mechanism for the task of interest, we propose a simple yet effective Transformer-based framework that enables end-to-end training of the whole sequence. Via experiments on rice3k and wheat3k datasets, we show that, with simple tricks such as k-mer tokenization and random masking, Transformer can achieve overall superior performance against seminal methods on GS tasks of interest.
For the Misgendered Chinese in Gender Bias Research: Multi-Task Learning with Knowledge Distillation for Pinyin Name Gender Prediction
Venue: Conference IJCAI 2024
Year: 2024

Achieving gender equality is a pivotal factor in realizing the UN's Global Goals for Sustainable Development. Gender bias studies work towards this and rely on name-based gender inference tools to assign individual gender labels when gender information is unavailable. However, these tools often inaccurately predict gender for Chinese Pinyin names, leading to potential bias in such studies. With the growing participation of Chinese in international activities, this situation is becoming more severe. Specifically, current tools focus on pronunciation (Pinyin) information, neglecting the fact that the latent connections between Pinyin and Chinese characters (Hanzi) behind convey critical information. As a first effort, we formulate the Pinyin name-gender guessing problem and design a Multi-Task Learning Network assisted by Knowledge Distillation that enables the Pinyin embeddings in the model to possess semantic features of Chinese characters and to learn gender information from Chinese character names. Our open-sourced method surpasses commercial name-gender guessing tools by 9.70\% to 20.08\% relatively, and also outperforms the state-of-the-art algorithms.
Spatio-Temporal Field Neural Networks for Air Quality Inference
Venue: Conference IJCAI 2024
Year: 2024

The air quality inference problem aims to utilize historical data from a limited number of observation sites to infer the air quality index at an unknown location. Considering the sparsity of data due to the high maintenance cost of the stations, good inference algorithms can effectively save the cost and refine the data granularity. While spatio-temporal graph neural networks have made excellent progress on this problem, their non-Euclidean and discrete data structure modeling of reality limits its potential. In this work, we make the first attempt to combine two different spatio-temporal perspectives, fields and graphs, by proposing a new model, Spatio-Temporal Field Neural Network, and its corresponding new framework, Pyramidal Inference. Extensive experiments validate that our model achieves state-of-the-art performance in nationwide air quality inference in the Chinese Mainland, demonstrating the superiority of our proposed model and framework.
Streamflow Prediction with Uncertainty Quantification for Water Management: A Constrained Reasoning and Learning Approach
Venue: Conference IJCAI 2024
Year: 2024

Predicting the spatiotemporal variation in streamflow along with uncertainty quantification enables decision-making for sustainable management of scarce water resources. Process-based hydrological models (aka physics-based models) are based on physical laws, but using simplifying assumptions which can lead to poor accuracy. Data-driven approaches offer a powerful alternative, but they require large amount of training data and tend to produce predictions that are inconsistent with physical laws. This paper studies a constrained reasoning and learning (CRL) approach where physical laws represented as logical constraints are integrated as a layer in the deep neural network. To address small data setting, we develop a theoretically-grounded training approach to improve the generalization accuracy of deep models. For uncertainty quantification, we combine the synergistic strengths of Gaussian processes (GPs) and deep temporal models (i.e., deep models for time-series forecasting) by passing the learned latent representation as input to a standard distance-based kernel. Experiments on multiple real-world datasets demonstrate the effectiveness of both CRL and GP with deep kernel approaches over strong baseline methods.
ReBandit: Random Effects Based Online RL Algorithm for Reducing Cannabis Use
Venue: Conference IJCAI 2024
Year: 2024

The escalating prevalence of cannabis use, and associated cannabis-use disorder (CUD), poses a significant public health challenge globally. With a notably wide treatment gap, especially among emerging adults (EAs; ages 18-25), addressing cannabis use and CUD remains a pivotal objective within the 2030 United Nations Agenda for Sustainable Development Goals (SDG). In this work, we develop an online reinforcement learning (RL) algorithm called reBandit which will be utilized in a mobile health study to deliver personalized mobile health interventions aimed at reducing cannabis use among EAs. reBandit utilizes random effects and informative Bayesian priors to learn quickly and efficiently in noisy mobile health environments. Moreover, reBandit employs Empirical Bayes and optimization techniques to autonomously update its hyper-parameters online. To evaluate the performance of our algorithm, we construct a simulation testbed using data from a prior study, and compare against commonly used algorithms in mobile health studies. We show that reBandit performs equally well or better than all the baseline algorithms, and the performance gap widens as population heterogeneity increases in the simulation environment, proving its adeptness to adapt to diverse population of study participants.
Enhancing Sustainable Urban Mobility Prediction with Telecom Data: A Spatio-Temporal Framework Approach
Venue: Conference IJCAI 2024
Year: 2024

Traditional traffic prediction, limited by the scope of sensor data, falls short in comprehensive traffic management. Mobile networks offer a promising alternative using network activity counts, but these lack crucial directionality. Thus, we present the TeltoMob dataset, featuring undirected telecom counts and corresponding directional flows, to predict directional mobility flows on roadways. To address this, we propose a two-stage spatio-temporal graph neural network (STGNN) framework. The first stage uses a pre-trained STGNN to process telecom data, while the second stage integrates directional and geographic insights for accurate prediction. Our experiments demonstrate the framework's compatibility with various STGNN models and confirm its effectiveness. We also show how to incorporate the framework into real-world transportation systems, enhancing sustainable urban mobility.
Revealing Hierarchical Structure of Leaf Venations in Plant Science via Label-Efficient Segmentation: Dataset and Method
Venue: Conference IJCAI 2024
Year: 2024

Hierarchical leaf vein segmentation is a crucial but under-explored task in agricultural sciences, where analysis of the hierarchical structure of plant leaf venation can contribute to plant breeding. While current segmentation techniques rely on data-driven models, there is no publicly available dataset specifically designed for hierarchical leaf vein segmentation. To address this gap, we introduce the HierArchical Leaf Vein Segmentation (HALVS) dataset, the first public hierarchical leaf vein segmentation dataset. HALVS comprises 5,057 real-scanned high-resolution leaf images collected from three plant species: soybean, sweet cherry, and London planetree. It also includes human-annotated ground truth for three orders of leaf veins, with a total labeling effort of 83.8 person-days. Based on HALVS, we further develop a label-efficient learning paradigm that leverages partial label information, i.e. missing annotations for tertiary veins. Empirical studies are performed on HALVS, revealing new observations, challenges, and research directions on leaf vein segmentation.