Reinforcement learning (RL) with tree search has demonstrated superior performance in traditional reasoning tasks.Compared to conventional independent chain sampling strategies with outcome supervision, tree search enables better exploration of the reasoning space and provides dense, on-policy process rewards during RL training but remains under-explored in On-Policy LLM RL.We propose TreeRL, a reinforcement learning framework that directly incorporates on-policy tree search for RL training.Our approach includes intermediate supervision and eliminates the need for separate reward model training.Existing approaches typically train a separate process reward model, which can suffer from distribution mismatch and reward hacking.We also introduce a cost-effective tree search approach that achieves higher search efficiency under the same generation token budget by strategically branching from high-uncertainty intermediate steps rather than using random branching.Experiments on challenging math and code reasoning benchmarks demonstrate that TreeRL achieves superior performance compared to traditional ChainRL, highlighting the potential of tree search for LLM.

Artificial intelligence (AI) is transforming scientific research, with explainable AI methods like concept-based models (CMs) showing promise for new discoveries. However, in molecular science, CMs are less common than black-box models like Graph Neural Networks (GNNs), due to their need for predefined concepts and manual labeling. This paper introduces the Automated Molecular Concept (AutoMolCo) framework, which leverages Large Language Models (LLMs) to automatically generate and label predictive molecular concepts. Through iterative concept refinement, AutoMolCo enables simple linear models to outperform GNNs and LLM in-context learning on several benchmarks. The framework operates without human knowledge input, overcoming limitations of existing CMs while maintaining explainability and allowing easy intervention. Experiments on MoleculeNet and High-Throughput Experimentation (HTE) datasets demonstrate that AutoMolCoinduced explainable CMs are beneficial for molecular science research.

We study the problem of building a visual concept library for visual recognition. Building effective visual concept libraries is challenging, as manual definition is labor-intensive, while relying solely on LLMs for concept generation can result in concepts that lack discriminative power or fail to account for the complex interactions between them. Our approach, Escher, takes a library learning perspective to iteratively discover and improve visual concepts. Escher uses a vision-language model (VLM) as a critic to iteratively refine the concept library, including accounting for interactions between concepts and how they affect downstream classifiers. By leveraging the in-context learning abilities of LLMs and the history of performance using various concepts, Escher dynamically improves its concept generation strategy based on the VLM critic’s feedback. Finally, Escher does not require any human annotations, and is thus an automated plug-and-play framework. We empirically demonstrate the ability of Escher to learn a concept library for zero-shot, few-shot, and fine-tuning visual classification tasks. This work represents, to our knowledge, the first application of concept library learning to real-world visual tasks.

Traditional reinforcement learning and planning require a lot of data and training to develop effective strategies. On the other hand, large language models (LLMs) can generalize well and perform tasks without prior training but struggle with complex planning and decision-making. We introduce **STRATEGIST**, a new approach that combines the strengths of both methods. It uses LLMs to generate and update high-level strategies in text form, while a Monte Carlo Tree Search (MCTS) algorithm refines and executes them. STRATEGIST is a general framework that optimizes strategies through self-play simulations without requiring any training data. We test STRATEGIST in competitive, multi-turn games with partial information, such as **Game of Pure Strategy (GOPS)** and **The Resistance: Avalon**, a multi-agent hidden-identity discussion game. Our results show that STRATEGIST-based agents outperform traditional reinforcement learning models, other LLM-based methods, and existing LLM agents while achieving performance levels comparable to human players.

We frame code generation as a black-box optimization problem within the code space and demonstrate how optimization-inspired techniques can enhance inference scaling over text. Based on this perspective, we propose **SCATTERED FOREST SEARCH (SFS)**, a novel approach that improves solution diversity during evolutionary search, thereby avoiding local optima. Our theoretical analysis illustrates how these methods improve exploration and enhance efficiency. Extensive experiments on *HumanEval, MBPP, APPS, CodeContests,* and *Leetcode* reveal significant performance gains. For instance, our method achieves a **pass@1 rate of 67.1% on HumanEval+** and **87.2% on HumanEval with GPT-3.5**, marking improvements of **8.6%** and **4.3%** over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our approach scales more efficiently than existing search techniques, including **tree search, line search,** and **repeated sampling (Best of N)**.

Large language models (LLMs) have achieved remarkable success across diverse tasks, yet their inference processes are hindered by substantial time and energy demands due to single-token generation at each decoding step. While previous methods such as speculative decoding mitigate these inefficiencies by producing multiple tokens per step, each token is still generated by its single-token distribution, thereby enhancing speed without improving effectiveness. In contrast, our work simultaneously enhances inference speed and improves the output effectiveness. We consider multi-token joint decoding (MTJD), which generates multiple tokens from their joint distribution at each iteration, theoretically reducing perplexity and enhancing task performance. However, MTJD suffers from the high cost of sampling from the joint distribution of multiple tokens. Inspired by speculative decoding, we introduce multi-token assisted decoding (MTAD), a novel framework designed to accelerate MTJD. MTAD leverages a smaller auxiliary model to approximate the joint distribution of a larger model, incorporating a verification mechanism that not only ensures the accuracy of this approximation, but also improves the decoding efficiency over conventional speculative decoding. Theoretically, we demonstrate that MTAD closely approximates exact MTJD with bounded error. Empirical evaluations using Llama-2 and OPT models ranging from 13B to 70B parameters across various tasks reveal that MTAD reduces perplexity by 21.2% and improves downstream performance compared to standard single-token sampling. Furthermore, MTAD achieves a 1.42× speed-up and consumes 1.54× less energy than conventional speculative decoding methods. These results highlight MTAD’s ability to make multi-token joint decoding both effective and efficient, promoting more sustainable and high-performance deployment of LLMs.

Language agents have become a promising solution to complex interactive tasks. One of the key ingredients to the success of language agents is the reward model on the trajectory of the agentic workflow, which provides valuable guidance during training or inference. However, due to the lack of annotations of intermediate interactions, most existing works use an outcome reward model to optimize policies across entire trajectories. This may lead to sub-optimal policies and hinder the overall performance. To address this, we propose QLASS (Q-guided Language Agent Stepwise Search), to automatically generate annotations by estimating Q-values in a stepwise manner for open language agents. By introducing a reasoning tree and performing process reward modeling, QLASS provides effective intermediate guidance for each step. With the stepwise guidance, we propose a Q-guided generation strategy to enable language agents to better adapt to long-term value, resulting in significant performance improvement during model inference on complex interactive agent tasks. Notably, even with almost half the annotated data, QLASS retains strong performance, demonstrating its efficiency in handling limited supervision. We also empirically demonstrate that QLASS can lead to more effective decision making through qualitative analysis.

Dynamically planning in complex systems has been explored to improve decision-making in various domains. Professional basketball serves as a compelling example of a dynamic spatio-temporal game, encompassing context-dependent decision-making. However, processing the diverse on-court signals and navigating the vast space of potential actions and outcomes make it difficult for existing approaches to swiftly identify optimal strategies in response to evolving circumstances. In this study, we formulate the sequential decision-making process as a conditional trajectory generation process. Based on the formulation, we introduce PlayBest (PLAYer BEhavior SynThesis), a method to improve player decision-making. We extend the diffusion probabilistic model to learn challenging environmental dynamics from historical National Basketball Association (NBA) player motion tracking data. To incorporate data-driven strategies, an auxiliary value function is trained with corresponding rewards. To accomplish reward-guided trajectory generation, we condition the diffusion model on the value function via classifier-guided sampling. We validate the effectiveness of PlayBest through simulation studies, contrasting the generated trajectories with those employed by professional basketball teams. Our results reveal that the model excels at generating reasonable basketball trajectories that produce efficient plays. Moreover, the synthesized play strategies exhibit an alignment with professional tactics, highlighting the model's capacity to capture the intricate dynamics of basketball games.

This paper introduces SceneCraft, a Large Language Model (LLM) Agent converting text descriptions into Blender-executable Python scripts which render complex scenes with up to a hundred 3D assets. This process requires complex spatial planning and arrangement. We tackle these challenges through a combination of advanced abstraction, strategic planning, and library learning. SceneCraft first models a scene graph as a blueprint, detailing the spatial relationships among assets in the scene. SceneCraft then writes Python scripts based on this graph, translating relationships into numerical constraints for asset layout. Next, SceneCraft leverages the perceptual strengths of vision-language foundation models like GPT-V to analyze rendered images and iteratively refine the scene. On top of this process, SceneCraft features a library learning mechanism that compiles common script functions into a reusable library, facilitating continuous self-improvement without expensive LLM parameter tuning. Our evaluation demonstrates that SceneCraft surpasses existing LLM-based agents in rendering complex scenes, as shown by its adherence to constraints and favorable human assessments. We also showcase the broader application potential of SceneCraft by reconstructing detailed 3D scenes from the Sintel movie and guiding a video generative model with generated scenes as intermediary control signal.

We study the problem of symbolic music generation (e.g., generating piano rolls), with a technical focus on non-differentiable rule guidance. Musical rules are often expressed in symbolic form on note characteristics, such as note density or chord progression, many of which are non-differentiable which pose a challenge when using them for guided diffusion. We propose Stochastic Control Guidance (SCG), a novel guidance method that only requires forward evaluation of rule functions that can work with pre-trained diffusion models in a plug-and-play way, thus achieving training-free guidance for non-differentiable rules for the first time. Additionally, we introduce a latent diffusion architecture for symbolic music generation with high time resolution, which can be composed with SCG in a plug-and-play fashion. Compared to standard strong baselines in symbolic music generation, this framework demonstrates marked advancements in music quality and rule-based controllability, outperforming current state-of-the-art generators in a variety of settings. For detailed demonstrations, code and model checkpoints, please visit our [project website](https://scg-rule-guided-music.github.io/).

Most existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning capabilities required for solving complex scientific problems, we introduce an expansive benchmark suite SciBench for LLMs. SciBench contains a carefully curated dataset featuring a range of collegiate-level scientific problems from mathematics, chemistry, and physics domains. Based on the dataset, we conduct an in-depth benchmarking study of representative open-source and proprietary LLMs with various prompting strategies. The results reveal that current LLMs fall short of delivering satisfactory performance, with the best overall score of merely 43.22%. Furthermore, through a detailed user study, we categorize the errors made by LLMs into ten problem-solving abilities. Our analysis indicates that no single prompting strategy significantly outperforms the others and some strategies that demonstrate improvements in certain problem-solving skills could result in declines in other skills. We envision that SciBench will catalyze further developments in the reasoning abilities of LLMs, thereby ultimately contributing to scientific research and discovery.

Learning complex physical dynamics purely from data is challenging due to the intrinsic properties of systems to be satisfied. Incorporating physics-informed priors, such as in Hamiltonian Neural Networks (HNNs), achieves high-precision modeling for energy-conservative systems. However, real-world systems often deviate from strict energy conservation and follow different physical priors. To address this, we present a framework that achieves high-precision modeling for a wide range of dynamical systems from the numerical aspect, by enforcing Time-Reversal Symmetry (TRS) via a novel regularization term. It helps preserve energies for conservative systems while serving as a strong inductive bias for non-conservative, reversible systems. While TRS is a domain-specific physical prior, we present the first theoretical proof that TRS loss can universally improve modeling accuracy by minimizing higher-order Taylor terms in ODE integration, which is numerically beneficial to various systems regardless of their properties, even for irreversible systems. By integrating the TRS loss within neural ordinary differential equation models, the proposed model TREAT demonstrates superior performance on diverse physical systems. It achieves a significant 11.5% MSE improvement in a challenging chaotic triple-pendulum scenario, underscoring TREAT’s broad applicability and effectiveness.

Large vision language models (LVLMs) integrate large language models (LLMs) with pre-trained vision encoders, thereby activating the perception capability of the model to understand image inputs for different queries and conduct subsequent reasoning. Improving this capability requires high-quality vision-language data, which is costly and labor-intensive to acquire. Self-training approaches have been effective in single-modal settings to alleviate the need for labeled data by leveraging model's own generation. However, effective self-training remains a challenge regarding the unique visual perception and reasoning capability of LVLMs. To address this, we introduce **S**elf-**T**raining on **I**mage **C**omprehension (**STIC**), which emphasizes a self-training approach specifically for image comprehension. First, the model self-constructs a preference dataset for image descriptions using unlabeled images. Preferred responses are generated through a step-by-step prompt, while dis-preferred responses are generated from either corrupted images or misleading prompts. To further self-improve reasoning on the extracted visual information, we let the model reuse a small portion of existing instruction-tuning data and append its self-generated image descriptions to the prompts. We validate the effectiveness of STIC across seven different benchmarks, demonstrating substantial performance gains of 4.0% on average while using 70% less supervised fine-tuning data than the current method. Further studies dive into various components of STIC and highlight its potential to leverage vast quantities of unlabeled images for self-training.

Large Language Model (LLM) agents have been increasingly adopted as simulation tools to model humans in social science and role-playing applications. However, one fundamental question remains: can LLM agents really simulate human behavior? In this paper, we focus on one critical and elemental behavior in human interactions, trust, and investigate whether LLM agents can simulate human trust behavior. We first find that LLM agents generally exhibit trust behavior, referred to as agent trust, under the framework of Trust Games, which are widely recognized in behavioral economics. Then, we discover that GPT-4 agents manifest high behavioral alignment with humans in terms of trust behavior, indicating the feasibility of simulating human trust behavior with LLM agents. In addition, we probe the biases of agent trust and differences in agent trust towards other LLM agents and humans. We also explore the intrinsic properties of agent trust under conditions including external manipulations and advanced reasoning strategies. Our study provides new insights into the behaviors of LLM agents and the fundamental analogy between LLMs and humans beyond value alignment. We further illustrate broader implications of our discoveries for applications where trust is paramount.

Large Language Models (LLMs) have shown promise in assisting scientific discovery. However, such applications are currently limited by LLMs' deficiencies in understanding intricate scientific concepts, deriving symbolic equations, and solving advanced numerical calculations. To bridge these gaps, we introduce SciInstruct, a suite of scientific instructions for training scientific language models capable of college-level scientific reasoning. Central to our approach is a novel self-reflective instruction annotation framework to address the data scarcity challenge in the science domain. This framework leverages existing LLMs to generate step-by-step reasoning for unlabelled scientific questions, followed by a process of self-reflective critic-and-revise. Applying this framework, we curated a diverse and high-quality dataset encompassing physics, chemistry, math, and formal proofs. We analyze the curated SciInstruct from multiple interesting perspectives (e.g., domain, scale, source, question type, answer length, etc.). To verify the effectiveness of SciInstruct, we fine-tuned different language models with SciInstruct, i.e., ChatGLM3 (6B and 32B), Llama3-8B-Instruct, and Mistral-7B: MetaMath, enhancing their scientific and mathematical reasoning capabilities, without sacrificing the language understanding capabilities of the base model. We release all codes and SciInstruct at https://github.com/THUDM/SciGLM.

Recent methodologies in LLM self-training mostly rely on LLM generating responses and filtering those with correct output answers as training data. This approach often yields a low-quality fine-tuning training set (e.g., incorrect plans or intermediate reasoning). In this paper, we develop a reinforced self-training approach, called ReST-MCTS*, based on integrating process reward guidance with tree search MCTS* for collecting higher-quality reasoning traces as well as per-step value to train policy and reward models. ReST-MCTS* circumvents the per-step manual annotation typically used to train process rewards by tree-search-based reinforcement learning: Given oracle final correct answers, ReST-MCTS* is able to infer the correct process rewards by estimating the probability this step can help lead to the correct answer. These inferred rewards serve dual purposes: they act as value targets for further refining the process reward model and also facilitate the selection of high-quality traces for policy model self-training. We first show that the tree-search policy in ReST-MCTS* achieves higher accuracy compared with prior LLM reasoning baselines such as Best-of-N and Tree-of-Thought, within the same search budget. We then show that by using traces searched by this tree-search policy as training data, we can continuously enhance the three language models for multiple iterations, and outperform other self-training algorithms such as ReST$^\text{EM}$ and Self-Rewarding LM.

Pre-training Graph Neural Networks (GNN) via self-supervised contrastive learning has recently drawn lots of attention. However, most existing works focus on node-level contrastive learning, which cannot capture global graph structure. The key challenge to conduct subgraph-level contrastive learning is to sample informative subgraphs that are semantically meaningful. To solve it, we propose to learn graph motifs, which are frequently-occurring subgraph patterns (e.g. functional groups of molecules), for better subgraph sampling. Our frameworkMotIf-drivenContrastive leaRningOfGraph representations (MICRO-Graph) can: 1) use GNNs to extract motifs from large graph datasets; 2) leverage learned motifs to sample informative subgraphs for contrastive learning of GNN. We formulate motif learning as a differentiable clustering problem, and adopt EM-clustering to group similar and significant subgraphs into several motifs. Guided by these learned motifs, a sampler is trained to generate more informative subgraphs, and these subgraphs are used to train GNNs through graph-to-subgraph contrastive learning. By pre-training on the ogbg-molhiv dataset withMICRO-Graph, the pre-trained GNN achieves 2.04% ROC-AUC average performance enhancement on various downstream benchmark datasets, which is significantly higher than other state-of-the-art self-supervised learning baselines.

In this paper, we propose an end-to-end Retrieval-Augmented Visual Language Model (REVEAL) that learns to encode world knowledge into a large-scale memory, and to retrieve from it to answer knowledge-intensive queries. Reveal consists of four key components: the memory, the encoder, the retriever and the generator. The large-scale memory encodes various sources of multimodal world knowledge (e.g. image-text pairs, question answering pairs, knowledge graph triplets, etc.) via a unified encoder. The retriever finds the most relevant knowledge entries in the memory, and the generator fuses the retrieved knowledge with the input query to produce the output. A key novelty in our approach is that the memory, encoder, retriever and generator are all pre-trained end-to-end on a massive amount of data. Furthermore, our approach can use a diverse set of multimodal knowledge sources, which is shown to result in significant gains. We show that Reveal achieves state-of-the-art results on visual question answering and image captioning. The project page of this work is reveal. github. io.

High-level synthesis (HLS) aims to raise the abstraction layer in hardware design, enabling the design of domain-specific accelerators (DSAs) like field-programmable gate arrays (FPGAs) using C/C++ instead of hardware description languages (HDLs). Compiler directives in the form of pragmas play a crucial role in modifying the microarchitecture within the HLS framework. However, the space of possible microarchitectures grows exponentially with the number of pragmas. Moreover, the evaluation of each candidate design using the HLS tool consumes significant time, ranging from minutes to hours, leading to a time-consuming optimization process. To accelerate this process, machine learning models have been used to predict design quality in milliseconds. However, existing open-source datasets for training such models are limited in terms of design complexity and available optimizations. In this paper, we present HLSyn, the first benchmark that addresses these limitations. It contains more complex programs with a wider range of optimization pragmas, making it a comprehensive dataset for training and evaluating design quality prediction models. The HLSyn benchmark consists of 42 unique programs/kernels, resulting in over 42,000 labeled designs. We conduct an extensive comparison of state-of-the-art baselines to assess their effectiveness in predicting design quality. As an ongoing project, we anticipate expanding the HLSyn benchmark in terms of both quantity and variety of programs to further support the development of this field.

In this paper, we propose an autonomous information seeking visual question answering framework, AVIS. Our method leverages a Large Language Model (LLM) to dynamically strategize the utilization of external tools and to investigate their outputs via tree search, thereby acquiring the indispensable knowledge needed to provide answers to the posed questions. Responding to visual questions that necessitate external knowledge, such as "What event is commemorated by the building depicted in this image?", is a complex task. This task presents a combinatorial search space that demands a sequence of actions, including invoking APIs, analyzing their responses, and making informed decisions. We conduct a user study to collect a variety of instances of human decision-making when faced with this task. This data is then used to design a system comprised of three components: an LLM-powered planner that dynamically determines which tool to use next, an LLM-powered reasoner that analyzes and extracts key information from the tool outputs, and a working memory component that retains the acquired information throughout the process. The collected user behavior serves as a guide for our system in two key ways. First, we create a transition graph by analyzing the sequence of decisions made by users. This graph delineates distinct states and confines the set of actions available at each state. Second, we use examples of user decision-making to provide our LLM-powered planner and reasoner with relevant contextual instances, enhancing their capacity to make informed decisions. We show that AVIS achieves state-of-the-art results on knowledge-based visual question answering benchmarks such as Infoseek and OK-VQA.

The limited availability of annotations in small molecule datasets presents a challenge to machine learning models. To address this, one common strategy is to collaborate with additional auxiliary datasets. However, having more data does not always guarantee improvements. Negative transfer can occur when the knowledge in the target dataset differs or contradicts that of the auxiliary molecule datasets. In light of this, identifying the auxiliary molecule datasets that can benefit the target dataset when jointly trained remains a critical and unresolved problem. Through an empirical analysis, we observe that combining graph structure similarity and task similarity can serve as a more reliable indicator for identifying high-affinity auxiliary datasets. Motivated by this insight, we propose MolGroup, which separates the dataset affinity into task and structure affinity to predict the potential benefits of each auxiliary molecule dataset. MolGroup achieves this by utilizing a routing mechanism optimized through a bi-level optimization framework. Empowered by the meta gradient, the routing mechanism is optimized toward maximizing the target dataset's performance and quantifies the affinity as the gating score. As a result, MolGroup is capable of predicting the optimal combination of auxiliary datasets for each target dataset. Our extensive experiments demonstrate the efficiency and effectiveness of MolGroup, showing an average improvement of 4.41%/3.47% for GIN/Graphormer trained with the group of molecule datasets selected by MolGroup on 11 target molecule datasets.

Answering complex First-Order Logical (FOL) queries on large-scale incomplete knowledge graphs (KGs) is an important yet challenging task. Recent advances embed logical queries and KG entities in the same space and conduct query answering via dense similarity search. However, most logical operators designed in previous studies do not satisfy the axiomatic system of classical logic, limiting their performance. Moreover, these logical operators are parameterized and thus require many complex FOL queries as training data, which are often arduous to collect or even inaccessible in most real-world KGs. We thus present FuzzQE, a fuzzy logic based logical query embedding framework for answering FOL queries over KGs. FuzzQE follows fuzzy logic to define logical operators in a principled and learning-free manner, where only entity and relation embeddings require learning. FuzzQE can further benefit from labeled complex logical queries for training. Extensive experiments on two benchmark datasets demonstrate that FuzzQE provides significantly better performance in answering FOL queries compared to state-of-the-art methods. In addition, FuzzQE trained with only KG link prediction can achieve comparable performance to those trained with extra complex query data.

Answering open-domain questions requires world knowledge about in-context entities.As pre-trained Language Models (LMs) lack the power to store all required knowledge, external knowledge sources, such as knowledge graphs, are often used to augment LMs.In this work, we propose knOwledge REasOning empowered Language Model (OREOLM), which consists of a novel Knowledge Interaction Layer that can be flexibly plugged into existing Transformer-based LMs to interact with a differentiable Knowledge Graph Reasoning module collaboratively.In this way, LM guides KG to walk towards the desired answer, while the retrieved knowledge improves LM.By adopting OREOLM to RoBERTa and T5, we show significant performance gain, achieving state-of-art results in the Closed-Book setting.The performance enhancement is mainly from the KG reasoning's capacity to infer missing relational facts.In addition, OREOLM provides reasoning paths as rationales to interpret the model's decision.

Multi-Task Learning (MTL) is a powerful learning paradigm to improve generalization performance via knowledge sharing. However, existing studies find that MTL could sometimes hurt generalization, especially when two tasks are less correlated. One possible reason that hurts generalization is spurious correlation, i.e., some knowledge is spurious and not causally related to task labels, but the model could mistakenly utilize them and thus fail when such correlation changes. In MTL setup, there exist several unique challenges of spurious correlation. First, the risk of having non-causal knowledge is higher, as the shared MTL model needs to encode all knowledge from different tasks, and causal knowledge for one task could be potentially spurious to the other. Second, the confounder between task labels brings in a different type of spurious correlation to MTL. Given such label-label confounders, we theoretically and empirically show that MTL is prone to taking non-causal knowledge from other tasks. To solve this problem, we propose Multi-Task Causal Representation Learning (MT-CRL) framework. MT-CRL aims to represent multi-task knowledge via disentangled neural modules, and learn which module is causally related to each task via MTL-specific invariant regularization. Experiments show that MT-CRL could enhance MTL model's performance by 5.5% on average over Multi-MNIST, MovieLens, Taskonomy, CityScape, and NYUv2, and show it could indeed alleviate spurious correlation problem.

Data continuously emitted from industrial ecosystems such as social or e-commerce platforms are commonly represented as heterogeneous graphs (HG) composed of multiple node/edge types. State-of-the-art graph learning methods for HGs known as heterogeneous graph neural networks (HGNNs) are applied to learn deep context-informed node representations. However, many HG datasets from industrial applications suffer from label imbalance between node types. As there is no direct way to learn using labels rooted at different node types, HGNNs have been applied to only a few node types with abundant labels. We propose a zero-shot transfer learning module for HGNNs called a Knowledge Transfer Network (KTN) that transfers knowledge from label-abundant node types to zero-labeled node types through rich relational information given in the HG. KTN is derived from the theoretical relationship, which we introduce in this work, between distinct feature extractors for each node type given in an HGNN model. KTN improves the performance of 6 different types of HGNN models by up to 960% for inference on zero-labeled node types and outperforms state-of-the-art transfer learning baselines by up to 73% across 18 different transfer learning tasks on HGs.

Commonsense is defined as the knowledge that is shared by everyone.However, certain types of commonsense knowledge are correlated with culture and geographic locations and they are only shared locally.For example, the scenarios of wedding ceremonies vary across regions due to different customs influenced by historical and religious factors.Such regional characteristics, however, are generally omitted in prior work.In this paper, we construct a Geo-Diverse Visual Commonsense Reasoning dataset (GD-VCR) to test vision-and-language models' ability to understand cultural and geo-location-specific commonsense.In particular, we study two state-of-the-art Vision-and-Language models, VisualBERT and ViLBERT trained on VCR, a standard multimodal commonsense benchmark with images primarily from Western regions.We then evaluate how well the trained models can generalize to answering the questions in GD-VCR.We find that the performance of both models for non-Western regions including East Asia, South Asia, and Africa is significantly lower than that for Western region.We analyze the reasons behind the performance disparity and find that the performance gap is larger on QA pairs that: 1) are concerned with culture-related scenarios, e.g., weddings, religious activities, and festivals; 2) require high-level geo-diverse commonsense reasoning rather than low-order perception and recognition.Dataset and code are released at https://github.com/ WadeYin9712/GD-VCR.

Collaborative Filtering (CF), as one of the most popular approaches, is widely employed in recommender systems but suffers from the cold-start problem, where interactions are very limited for new users in the system. To deal with this issue, previous work has largely focused on utilizing various auxiliary information such as user profiles and social relationships to infer user preferences. However, the auxiliary information is not always available due to reasons such as user privacy concerns, making the CF approaches have to count on the limited interactions. Moreover, real-world situations require both accurate and quick recommendations for newly arrived users dynamically. Therefore, it is of critical importance to enable fast learning for new users during the training time of CF models. In this paper, we present a novel learning paradigm, named MetaCF, to learn an accurate CF model that makes fast adaptation on new users with limited interactions. Inspired by meta-learning, MetaCF treats the fast adaptation on a new user as a task and aims to learn a suitable model for initializing the adaption. To pursue a well-generalized model, MetaCF is equipped with a Dynamic Subgraph Sampling that accounts for the dynamic arrival of new users by dynamically generating representative adaptation tasks for existing users. Moreover, to stabilize the adaption procedure that faces the shortage of training samples, MetaCF further optimizes the learning rates for adaption in a fine-grained manner. MetaCF is applicable to any differentiable CF-based models where we demonstrate it on two representative ones, FISM [1] and NGCF [2]. Extensive experiments on three datasets validate the effectiveness of the proposed framework, which significantly outperforms state-of-the-art baselines by a large margin in the cold-start scenario where user-item interactions are limited.

Sentiment classification typically relies on a large amount of labeled data. In practice, the availability of labels is highly imbalanced among different languages. To tackle this problem, cross-lingual sentiment classification approaches aim to transfer knowledge learned from one language that has abundant labeled examples (i.e., the source language, usually English) to another language with fewer labels (i.e., the target language). The source and the target languages are usually bridged through off-the-shelf machine translation tools. Through such a channel, cross-language sentiment patterns can be successfully learned from English and transferred into the target languages. This approach, however, often fails to capture sentiment knowledge specific to the target language. In this paper, we employ emojis, which are widely available in many languages, as a new channel to learn both the cross-language and the language-specific sentiment patterns. We propose a novel representation learning method that uses emoji prediction as an instrument to learn respective sentiment-aware representations for each language. The learned representations are then integrated to facilitate cross-lingual sentiment classification.

Representation learning has offered a revolutionary learning paradigm for various AI domains. In this survey, we examine and review the problem of representation learning with the focus on heterogeneous networks, which consists of different types of vertices and relations. The goal of this problem is to automatically project objects, most commonly, vertices, in an input heterogeneous network into a latent embedding space such that both the structural and relational properties of the network can be encoded and preserved. The embeddings (representations) can be then used as the features to machine learning algorithms for addressing corresponding network tasks. To learn expressive embeddings, current research developments can fall into two major categories: shallow embedding learning and graph neural networks. After a thorough review of the existing literature, we identify several critical challenges that remain unaddressed and discuss future directions. Finally, we build the Heterogeneous Graph Benchmark to facilitate open research for this rapidly-developing topic.

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective way to reduce the labeling effort is to pre-train an expressive GNN model on unlabelled data with self-supervision and then transfer the learned model to downstream tasks with only a few labels. In this paper, we present the GPT-GNN framework to initialize GNNs by generative pre-training. GPT-GNN introduces a self-supervised attributed graph generation task to pre-train a GNN so that it can capture the structural and semantic properties of the graph. We factorize the likelihood of graph generation into two components: 1) attribute generation and 2) edge generation. By modeling both components, GPT-GNN captures the inherent dependency between node attributes and graph structure during the generative process. Comprehensive experiments on the billion-scale open academic graph and Amazon recommendation data demonstrate that GPT-GNN significantly outperforms state-of-the-art GNN models without pre-training by up to 9.1% across various downstream tasks?

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making it infeasible to represent heterogeneous structures. In this paper, we present the Heterogeneous Graph Transformer (HGT) architecture for modeling Web-scale heterogeneous graphs. To model heterogeneity, we design node- and edge-type dependent parameters to characterize the heterogeneous attention over each edge, empowering HGT to maintain dedicated representations for different types of nodes and edges. To handle Web-scale graph data, we design the heterogeneous mini-batch graph sampling algorithm—HGSampling—for efficient and scalable training. Extensive experiments on the Open Academic Graph of 179 million nodes and 2 billion edges show that the proposed HGT model consistently outperforms all the state-of-the-art GNN baselines by 9–21 on various downstream tasks. The dataset and source code of HGT are publicly available at https://github.com/acbull/pyHGT.

Smartphone applications (a.k.a., apps) have become indispensable in our everyday life and work. In practice, accomplishing a task on smartphones may require the user to navigate among various apps. Unlike Web pages that are inherently interconnected through hyperlinks, apps are usually isolated building blocks, and the lack of direct links between apps has compromised the efficiency of task completion and user experience. In this article, we present the first in-depth empirical study of page-level access behaviors of smartphone users based on a comprehensive dataset collected through an extensive user study. We propose a model to distinguish informational pages and transitional pages , based on which we can extract page-level inter-app navigation. Surprisingly, the transitional pages account for quite substantial time cost and manual actions when navigating from the current informational page to the desirable informational page. We reveal that developing “ tunnels ” between “isolated” apps under specific usage scenarios has a huge potential to reduce the cost of navigation. Our analysis provides some practical implications on how to improve app-navigation experience from both the operating system’s perspective and the developer’s<?brk?> perspective.

Existing approaches for learning word embeddings often assume there are sufficient occurrences for each word in the corpus, such that the representation of words can be accurately estimated from their contexts.However, in real-world scenarios, out-of-vocabulary (a.k.a.OOV) words that do not appear in training corpus emerge frequently.It is challenging to learn accurate representations of these words with only a few observations.In this paper, we formulate the learning of OOV embeddings as a few-shot regression problem, and address it by training a representation function to predict the oracle embedding vector (defined as embedding trained with abundant observations) based on limited observations.Specifically, we propose a novel hierarchical attention-based architecture to serve as the neural regression function, with which the context information of a word is encoded and aggregated from K observations.Furthermore, our approach can leverage Model-Agnostic Meta-Learning (MAML) for adapting the learned model to the new corpus fast and robustly.Experiments show that the proposed approach significantly outperforms existing methods in constructing accurate embeddings for OOV words, and improves downstream tasks where these embeddings are utilized.

Analyzing links among pages from different mobile apps is an important task of app analysis. Currently, most efforts of analyzing inter-app page links rely on static program analysis, which produces a lot of false positives, requiring significant manual effort to verify the links. To address the issue, in this paper, we propose LinkRadar, a data-driven approach to assisting the analysis of inter-app page links. Our key idea is to use dynamic program analysis to gather a set of actual inter-app page links, based on which we train a model to predict whether there exist links among pages from different apps to help verify the results of static program analysis. The challenge is that inter-app page links are hard to be triggered by dynamic program analysis, making it difficult to collect enough inter-app page links to train the model. Considering the similarity between intra-app page links and inter-app page links, we use transfer learning to deal with the data scarcity problem. Evaluation results show that LinkRadar is able to infer the inter-app page links with high accuracy.

Graph convolutional networks (GCNs) have recently received wide attentions, due to their successful applications in different graph tasks and different domains. Training GCNs for a large graph, however, is still a challenge. Original full-batch GCN training requires calculating the representation of all the nodes in the graph per GCN layer, which brings in high computation and memory costs. To alleviate this issue, several sampling-based methods are proposed to train GCNs on a subset of nodes. Among them, the node-wise neighbor-sampling method recursively samples a fixed number of neighbor nodes, and thus its computation cost suffers from exponential growing neighbor size across layers; while the layer-wise importance-sampling method discards the neighbor-dependent constraints, and thus the nodes sampled across layer suffer from sparse connection problem. To deal with the above two problems, we propose a new effective sampling algorithm called LAyer-Dependent ImportancE Sampling (LADIES). Based on the sampled nodes in the upper layer, LADIES selects nodes that are in the neighborhood of these nodes and uses the constructed bipartite graph to compute the importance probability. Then, it samples a fixed number of nodes according to the probability for the whole layer, and recursively conducts such procedure per layer to construct the whole computation graph. We prove theoretically and experimentally, that our proposed sampling algorithm outperforms the previous sampling methods regarding both time and memory. Furthermore, LADIES is shown to have better generalization accuracy than original full-batch GCN, due to its stochastic nature.

Designing desirable and aesthetical manifestation of web graphic user interfaces (GUI) is a challenging task for web developers. After determining a web page's content, developers usually refer to existing pages, and adapt the styles from desired pages into the target one. However, it is not only difficult to find appropriate pages to exhibit the target page's content, but also tedious to incorporate styles from different pages harmoniously in the target page. To tackle these two issues, we propose FaceOff, a data-driven automation system that assists the manifestation design of web GUI. FaceOff constructs a repository of web GUI templates based on 15,491 web pages from popular websites and professional design examples. Given a web page for designing manifestation, FaceOff first segments it into multiple blocks, and retrieves GUI templates in the repository for each block. Subsequently, FaceOff recommends multiple combinations of templates according to a Convolutional Neural Network (CNN) based style-embedding model, which makes the recommended style combinations diverse and accordant. We demonstrate that FaceOff can retrieve suitable GUI templates with well-designed and harmonious style, and thus alleviate the developer efforts.

Sentiment classification typically relies on a large amount of labeled data. In practice, the availability of labels is highly imbalanced among different languages, e.g., more English texts are labeled than texts in any other languages, which creates a considerable inequality in the quality of related information services received by users speaking different languages. To tackle this problem, cross-lingual sentiment classification approaches aim to transfer knowledge learned from one language that has abundant labeled examples (i.e., the source language, usually English) to another language with fewer labels (i.e., the target language). The source and the target languages are usually bridged through off-the-shelf machine translation tools. Through such a channel, cross-language sentiment patterns can be successfully learned from English and transferred into the target languages. This approach, however, often fails to capture sentiment knowledge specific to the target language, and thus compromises the accuracy of the downstream classification task. In this paper, we employ emojis, which are widely available in many languages, as a new channel to learn both the cross-language and the language-specific sentiment patterns. We propose a novel representation learning method that uses emoji prediction as an instrument to learn respective sentiment-aware representations for each language. The learned representations are then integrated to facilitate cross-lingual sentiment classification. The proposed method demonstrates state-of-the-art performance on benchmark datasets, which is sustained even when sentiment labels are scarce.

Recently a number of algorithms under the theme of 'unbiased learning-to-rank' have been proposed, which can reduce position bias, the major type of bias in click data, and train a high-performance ranker with click data. Most of the existing algorithms, based on the inverse propensity weighting (IPW) principle, first estimate the click bias at each position, and then train an unbiased ranker with the estimated biases using a learning-to-rank algorithm. However, there has not been a method for unbiased pairwise learning-to-rank that can simultaneously conduct debiasing of click data and training of a ranker using a pairwise loss function. In this paper, we propose a novel framework to accomplish the goal and apply this framework to the state-of-the-art pairwise learning-to-rank algorithm, LambdaMART. Our algorithm named Unbiased LambdaMART can jointly estimate the biases at click positions and the biases at unclick positions, and learn an unbiased ranker. Experiments on benchmark data show that Unbiased LambdaMART can significantly outperform existing algorithms by large margins. In addition, an online A/B Testing at a commercial search engine shows that Unbiased LambdaMART can effectively conduct debiasing of click data and enhance relevance ranking.

Stock trend prediction plays a critical role in seeking maximized profit from the stock investment. However, precise trend prediction is very difficult since the highly volatile and non-stationary nature of the stock market. Exploding information on the Internet together with the advancing development of natural language processing and text mining techniques have enabled investors to unveil market trends and volatility from online content. Unfortunately, the quality, trustworthiness, and comprehensiveness of online content related to stock market vary drastically, and a large portion consists of the low-quality news, comments, or even rumors. To address this challenge, we imitate the learning process of human beings facing such chaotic online news, driven by three principles: sequential content dependency, diverse influence, and effective and efficient learning. In this paper, to capture the first two principles, we designed a Hybrid Attention Networks(HAN) to predict the stock trend based on the sequence of recent related news. Moreover, we apply the self-paced learning mechanism to imitate the third principle. Extensive experiments on real-world stock market data demonstrate the effectiveness of our framework. A further simulation illustrates that a straightforward trading strategy based on our proposed framework can significantly increase the annualized return.

Compared to the Web where each web page has a global URL for external access, a specific 'page' inside a mobile app cannot be easily accessed unless the user performs several steps from the landing page of this app. Recently, the concept of 'deep link' is expected to be a promising solution and has been advocated by major service providers to enable targeting and opening a specific page of an app externally with an accessible uniform resource identifier. In this paper, we present a large-scale empirical study to investigate how deep links are really adopted, over 25,000 Android apps. To our surprise, we find that deep links have quite low coverage, e.g., more than 70% and 90% of the apps do not have deep links on app stores Wandoujia and Google Play, respectively. One underlying reason is the mandatory and non-trivial manual efforts of app developers to provide APIs for deep links. We then propose the Aladdin approach along with its supporting tool to help developers practically automate the release of deep-link APIs to access locations inside their apps. Aladdin includes a novel cooperative framework by synthesizing the static analysis and the dynamic analysis while minimally engaging developers» inputs and configurations, without requiring any coding efforts or additional deployment efforts. We evaluate Aladdin with 579 popular apps and demonstrate its effectiveness and performance.

In the appstore-centric ecosystem, app developers have an urgent requirement to optimize their release strategy to maximize user adoption of their apps. To address this problem, we introduce an approach to assisting developers to select the proper release opportunity based on the purpose of the update and current condition of the app. Before that, we propose the update interval to characterize release patterns of apps, and find significance of the updates through empirical analysis. We mined the release-history data of 17,820 apps from 33 categories in Google Play, over a period of 105 days. With 41,028 releases identified from these apps, we reveal important characteristics of update intervals and how these factors can influence update effects. We suggest developers to synthetically consider app ranking, rating trend, and update purpose in addition to the timing of releasing an app version. We propose a Multinomial Naive Bayes model to help decide an optimal release opportunity to gain better user adoption.