James Cheng

Yifan Hou, Hongzhi Chen, Changji Li et al. · eth-zurich

Representation learning on graphs, also called graph embedding, has demonstrated its significant impact on a series of machine learning applications such as classification, prediction and recommendation. However, existing work has largely ignored the rich information contained in the properties (or attributes) of both nodes and edges of graphs in modern applications, e.g., those represented by property graphs. To date, most existing graph embedding methods either focus on plain graphs with only the graph topology, or consider properties on nodes only. We propose PGE, a graph representation learning framework that incorporates both node and edge properties into the graph embedding procedure. PGE uses node clustering to assign biases to differentiate neighbors of a node and leverages multiple data-driven matrices to aggregate the property information of neighbors sampled based on a biased strategy. PGE adopts the popular inductive model for neighborhood aggregation. We provide detailed analyses on the efficacy of our method and validate the performance of PGE by showing how PGE achieves better embedding results than the state-of-the-art graph embedding methods on benchmark applications such as node classification and link prediction over real-world datasets.

Yongqiang Chen, Kaiwen Zhou, Yatao Bian et al.

Recently, there has been a growing surge of interest in enabling machine learning systems to generalize well to Out-of-Distribution (OOD) data. Most efforts are devoted to advancing optimization objectives that regularize models to capture the underlying invariance; however, there often are compromises in the optimization process of these OOD objectives: i) Many OOD objectives have to be relaxed as penalty terms of Empirical Risk Minimization (ERM) for the ease of optimization, while the relaxed forms can weaken the robustness of the original objective; ii) The penalty terms also require careful tuning of the penalty weights due to the intrinsic conflicts between ERM and OOD objectives. Consequently, these compromises could easily lead to suboptimal performance of either the ERM or OOD objective. To address these issues, we introduce a multi-objective optimization (MOO) perspective to understand the OOD optimization process, and propose a new optimization scheme called PAreto Invariant Risk Minimization (PAIR). PAIR improves the robustness of OOD objectives by cooperatively optimizing with other OOD objectives, thereby bridging the gaps caused by the relaxations. Then PAIR approaches a Pareto optimal solution that trades off the ERM and OOD objectives properly. Extensive experiments on challenging benchmarks, WILDS, show that PAIR alleviates the compromises and yields top OOD performances.

Ruize Gao, Jiongxiao Wang, Kaiwen Zhou et al.

The AutoAttack (AA) has been the most reliable method to evaluate adversarial robustness when considerable computational resources are available. However, the high computational cost (e.g., 100 times more than that of the project gradient descent attack) makes AA infeasible for practitioners with limited computational resources, and also hinders applications of AA in the adversarial training (AT). In this paper, we propose a novel method, minimum-margin (MM) attack, to fast and reliably evaluate adversarial robustness. Compared with AA, our method achieves comparable performance but only costs 3% of the computational time in extensive experiments. The reliability of our method lies in that we evaluate the quality of adversarial examples using the margin between two targets that can precisely identify the most adversarial example. The computational efficiency of our method lies in an effective Sequential TArget Ranking Selection (STARS) method, ensuring that the cost of the MM attack is independent of the number of classes. The MM attack opens a new way for evaluating adversarial robustness and provides a feasible and reliable way to generate high-quality adversarial examples in AT.

Mocheng Li, Baotong Lu, James Cheng et al.

Filtering Approximate Nearest Neighbor (FANN) search is a critical and emerging task for strengthening the query capability of vector databases, supporting applications such as recommendation systems, retrieval-augmented generation (RAG), and agent memory. However, most existing methods are limited to range or label filtering, often incurring unacceptable index construction time and memory overhead. Predicate-agnostic approaches further struggle to handle a wide range of predicate selectivities effectively. In this paper, we propose EMA, a filtering ANN algorithm that supports multi-predicate queries over mixed numerical and categorical attributes, and efficient dynamic updates. EMA introduces Markers as compact summaries attached to graph edges, providing conservative predicate- and geometric-aware guidance with zero false negatives at the Marker level. During query processing, EMA performs Marker-augmented joint search with a bounded edge recovery mechanism, enabling efficient filtering while preserving graph navigability. Extensive experiments demonstrate that EMA achieves 1.68x--12.25x speedup over state-of-the-art general filtering ANN methods across diverse workloads.

Yongqiang Chen, Wei Huang, Kaiwen Zhou et al.

A common explanation for the failure of out-of-distribution (OOD) generalization is that the model trained with empirical risk minimization (ERM) learns spurious features instead of invariant features. However, several recent studies challenged this explanation and found that deep networks may have already learned sufficiently good features for OOD generalization. Despite the contradictions at first glance, we theoretically show that ERM essentially learns both spurious and invariant features, while ERM tends to learn spurious features faster if the spurious correlation is stronger. Moreover, when fed the ERM learned features to the OOD objectives, the invariant feature learning quality significantly affects the final OOD performance, as OOD objectives rarely learn new features. Therefore, ERM feature learning can be a bottleneck to OOD generalization. To alleviate the reliance, we propose Feature Augmented Training (FeAT), to enforce the model to learn richer features ready for OOD generalization. FeAT iteratively augments the model to learn new features while retaining the already learned features. In each round, the retention and augmentation operations are performed on different subsets of the training data that capture distinct features. Extensive experiments show that FeAT effectively learns richer features thus boosting the performance of various OOD objectives.

Peiqi Yin, Xiao Yan, Jinjing Zhou et al.

While many systems have been developed to train Graph Neural Networks (GNNs), efficient model inference and evaluation remain to be addressed. For instance, using the widely adopted node-wise approach, model evaluation can account for up to 94% of the time in the end-to-end training process due to neighbor explosion, which means that a node accesses its multi-hop neighbors. On the other hand, layer-wise inference avoids the neighbor explosion problem by conducting inference layer by layer such that the nodes only need their one-hop neighbors in each layer. However, implementing layer-wise inference requires substantial engineering efforts because users need to manually decompose a GNN model into layers for computation and split workload into batches to fit into device memory. In this paper, we develop Deep Graph Inference (DGI) -- a system for easy and efficient GNN model inference, which automatically translates the training code of a GNN model for layer-wise execution. DGI is general for various GNN models and different kinds of inference requests, and supports out-of-core execution on large graphs that cannot fit in CPU memory. Experimental results show that DGI consistently outperforms layer-wise inference across different datasets and hardware settings, and the speedup can be over 1,000x.

Zizhe Chen, Jiqian Dong, Yizhou Tian et al.

Reinforcement learning (RL) refines large language models (LLMs) by directly optimizing model behavior through reward signals. While accurate state value estimation is critical for stable training in classical RL, it remains an underexplored challenge in LLM post-training. In this work, we introduce the State Value Estimation Benchmark (SVEB) to assess state estimation within existing RL frameworks and show that critics in standard approaches like PPO collapse to a coarse group-average baseline. To address this, we propose two techniques: Numca, which leverages numerical spans as gradable milestones for state value estimation, and Hista, a framework that uses LLM's hidden states as representation to weighted average disjoint rollouts and their return. Extensive experiments demonstrate that both methods yield more accurate state value estimates and enhance training performance across different RL algorithms and model sizes without incurring significant computational overhead.

Yongqiang Chen, Yatao Bian, Kaiwen Zhou et al.

Invariant graph representation learning aims to learn the invariance among data from different environments for out-of-distribution generalization on graphs. As the graph environment partitions are usually expensive to obtain, augmenting the environment information has become the de facto approach. However, the usefulness of the augmented environment information has never been verified. In this work, we find that it is fundamentally impossible to learn invariant graph representations via environment augmentation without additional assumptions. Therefore, we develop a set of minimal assumptions, including variation sufficiency and variation consistency, for feasible invariant graph learning. We then propose a new framework Graph invAriant Learning Assistant (GALA). GALA incorporates an assistant model that needs to be sensitive to graph environment changes or distribution shifts. The correctness of the proxy predictions by the assistant model hence can differentiate the variations in spurious subgraphs. We show that extracting the maximally invariant subgraph to the proxy predictions provably identifies the underlying invariant subgraph for successful OOD generalization under the established minimal assumptions. Extensive experiments on datasets including DrugOOD with various graph distribution shifts confirm the effectiveness of GALA.

Deyu Zou, Yongqiang Chen, Fan Feng et al. · gatech

Reinforcement learning (RL) with outcome-based rewards has achieved significant success in training large language model (LLM) agents for complex reasoning tasks. However, in active reasoning where agents need to strategically ask questions to acquire task-relevant information, we find that LLM agents trained with RL often suffer from information self-locking: the agent ceases to ask informative questions and struggles to internalize already-obtained information. To understand the phenomenon, we decompose active reasoning into two core capabilities: Action Selection (AS), which determines the observation stream through queries, and Belief Tracking (BT), which updates the agent's belief based on collected evidence. We show that deficient AS and BT capabilities will limit the information exploration during RL training. Furthermore, insufficient exploration in turn hinders the improvement of AS and BT, creating a feedback loop that locks the agent in a low-information regime. To resolve the issue, we propose a simple yet effective approach that reallocates the learning signal by injecting easy- to-obtain directional critiques to help the agent escape self-locking. Extensive experiments with 7 datasets show that our approach significantly mitigates the information self-locking, bringing up to 60% improvements.

Yifan Hou, Jian Zhang, James Cheng et al. · eth-zurich

Graph neural networks (GNNs) have been widely used for representation learning on graph data. However, there is limited understanding on how much performance GNNs actually gain from graph data. This paper introduces a context-surrounding GNN framework and proposes two smoothness metrics to measure the quantity and quality of information obtained from graph data. A new GNN model, called CS-GNN, is then designed to improve the use of graph information based on the smoothness values of a graph. CS-GNN is shown to achieve better performance than existing methods in different types of real graphs.

Zihao Wang, Yongqiang Chen, Yang Duan et al.

Machine Learning (ML) techniques have found applications in estimating chemical kinetic properties. With the accumulated drug molecules identified through "AI4drug discovery", the next imperative lies in AI-driven design for high-throughput chemical synthesis processes, with the estimation of properties of unseen reactions with unexplored molecules. To this end, the existing ML approaches for kinetics property prediction are required to be Out-Of-Distribution (OOD) generalizable. In this paper, we categorize the OOD kinetic property prediction into three levels (structure, condition, and mechanism), revealing unique aspects of such problems. Under this framework, we create comprehensive datasets to benchmark (1) the state-of-the-art ML approaches for reaction prediction in the OOD setting and (2) the state-of-the-art graph OOD methods in kinetics property prediction problems. Our results demonstrated the challenges and opportunities in OOD kinetics property prediction. Our datasets and benchmarks can further support research in this direction.

Yongqiang Chen, Binghui Xie, Kaiwen Zhou et al.

In-context learning (ICL) refers to the ability of a model to condition on a few in-context demonstrations (input-output examples of the underlying task) to generate the answer for a new query input, without updating parameters. Despite the impressive ICL ability of LLMs, it has also been found that ICL in LLMs is sensitive to input demonstrations and limited to short context lengths. To understand the limitations and principles for successful ICL, we conduct an investigation with ICL linear regression of transformers. We characterize several Out-of-Distribution (OOD) cases for ICL inspired by realistic LLM ICL failures and compare transformers with DeepSet, a simple yet powerful architecture for ICL. Surprisingly, DeepSet outperforms transformers across a variety of distribution shifts, implying that preserving permutation invariance symmetry to input demonstrations is crucial for OOD ICL. The phenomenon specifies a fundamental requirement by ICL, which we termed as ICL invariance. Nevertheless, the positional encodings in LLMs will break ICL invariance. To this end, we further evaluate transformers with identical positional encodings and find preserving ICL invariance in transformers achieves state-of-the-art performance across various ICL distribution shifts

Chinmay Maheshwari, James Cheng, S. Shankar Sasty et al.

In this paper, we present an efficient algorithm to solve online Stackelberg games, featuring multiple followers, in a follower-agnostic manner. Unlike previous works, our approach works even when leader has no knowledge about the followers' utility functions or strategy space. Our algorithm introduces a unique gradient estimator, leveraging specially designed strategies to probe followers. In a departure from traditional assumptions of optimal play, we model followers' responses using a convergent adaptation rule, allowing for realistic and dynamic interactions. The leader constructs the gradient estimator solely based on observations of followers' actions. We provide both non-asymptotic convergence rates to stationary points of the leader's objective and demonstrate asymptotic convergence to a \emph{local Stackelberg equilibrium}. To validate the effectiveness of our algorithm, we use this algorithm to solve the problem of incentive design on a large-scale transportation network, showcasing its robustness even when the leader lacks access to followers' demand.

Chenhan Jin, Kaiwen Zhou, Bo Han et al.

We consider stochastic convex optimization for heavy-tailed data with the guarantee of being differentially private (DP). Most prior works on differentially private stochastic convex optimization for heavy-tailed data are either restricted to gradient descent (GD) or performed multi-times clipping on stochastic gradient descent (SGD), which is inefficient for large-scale problems. In this paper, we consider a one-time clipping strategy and provide principled analyses of its bias and private mean estimation. We establish new convergence results and improved complexity bounds for the proposed algorithm called AClipped-dpSGD for constrained and unconstrained convex problems. We also extend our convergent analysis to the strongly convex case and non-smooth case (which works for generalized smooth objectives with H$\ddot{\text{o}}$lder-continuous gradients). All the above results are guaranteed with a high probability for heavy-tailed data. Numerical experiments are conducted to justify the theoretical improvement.

Binghui Xie, Chenhan Jin, Kaiwen Zhou et al.

Stochastic variance reduced methods have shown strong performance in solving finite-sum problems. However, these methods usually require the users to manually tune the step-size, which is time-consuming or even infeasible for some large-scale optimization tasks. To overcome the problem, we propose and analyze several novel adaptive variants of the popular SAGA algorithm. Eventually, we design a variant of Barzilai-Borwein step-size which is tailored for the incremental gradient method to ensure memory efficiency and fast convergence. We establish its convergence guarantees under general settings that allow non-Euclidean norms in the definition of smoothness and the composite objectives, which cover a broad range of applications in machine learning. We improve the analysis of SAGA to support non-Euclidean norms, which fills the void of existing work. Numerical experiments on standard datasets demonstrate a competitive performance of the proposed algorithm compared with existing variance-reduced methods and their adaptive variants.

Jiaxing Xu, Yongqiang Chen, Xia Dong et al.

In neuroscience, identifying distinct patterns linked to neurological disorders, such as Alzheimer's and Autism, is critical for early diagnosis and effective intervention. Graph Neural Networks (GNNs) have shown promising in analyzing brain networks, but there are two major challenges in using GNNs: (1) distribution shifts in multi-site brain network data, leading to poor Out-of-Distribution (OOD) generalization, and (2) limited interpretability in identifying key brain regions critical to neurological disorders. Existing graph OOD methods, while effective in other domains, struggle with the unique characteristics of brain networks. To bridge these gaps, we introduce BrainOOD, a novel framework tailored for brain networks that enhances GNNs' OOD generalization and interpretability. BrainOOD framework consists of a feature selector and a structure extractor, which incorporates various auxiliary losses including an improved Graph Information Bottleneck (GIB) objective to recover causal subgraphs. By aligning structure selection across brain networks and filtering noisy features, BrainOOD offers reliable interpretations of critical brain regions. Our approach outperforms 16 existing methods and improves generalization to OOD subjects by up to 8.5%. Case studies highlight the scientific validity of the patterns extracted, which aligns with the findings in known neuroscience literature. We also propose the first OOD brain network benchmark, which provides a foundation for future research in this field. Our code is available at https://github.com/AngusMonroe/BrainOOD.

Yongfeng Huang, Ruiying Chen, James Cheng

Retrieval-Augmented Generation (RAG) is widely employed to mitigate risks such as hallucinations and knowledge obsolescence in medical question answering, yet its predominantly single-round, static retrieval paradigm misaligns with the multi-stage process of clinical reasoning. This compressed workflow induces two structural deficiencies: question-to-query translation often lacks clinically grounded semantic interpretation, and retrieval lacks iterative sufficiency feedback, making it difficult to form reliable evidence chains. We argue that both issues stem from a deeper cause: overloading a single reasoning chain with heterogeneous tasks of interpretation, exploration, and adjudication. The remedy is to reconstruct the workflow via task decoupling and dynamic multi-round exploration. To this end, we propose SEMA-RAG, a Self-Evolving Multi-Agent RAG framework for medical question answering, which assigns these roles to three specialist agents: the Interpreter Agent for clinical schema interpretation, the Explorer Agent for sufficiency-driven self-evolving retrieval, and the Arbiter Agent for evidence adjudication and answer selection. Across five benchmarks and five LLM backbones, SEMA-RAG improves the strongest baseline by +6.46 accuracy points on average, measured per backbone.

Zijie Dai, Shiyuan Deng, Sheng Guan et al.

Memory systems often organize user-agent interactions as retrievable external memory and are crucial for long-running agents by overcoming the limited context windows of LLMs. However, existing memory systems invoke LLMs to process every incoming interaction for memory extraction, and such an eager memory consolidation scheme leads to substantial token consumption. To tackle this problem, we propose RecMem by rethinking when memory consolidation should be conducted. RecMem stores incoming interactions in a subconscious memory layer and encode them using lightweight embedding models for retrieval. LLMs are only invoked to extract episodic and semantic memory when sustained recurrence are observed for semantically similar interactions. Such recurrence-based consolidation works because these interactions correspond to a semantic cluster with rich information and thus are worth extraction and summarization. To improve accuracy, RecMem also incorporates a semantic refinement mechanism that recovers the fine-grained facts omitted by memory extraction. Experiments show that RecMem reduces the memory construction token cost of three SOTA memory systems by up to 87% while exceeding their accuracy.

Jiaqi Wang, Kevin Qinghong Lin, James Cheng et al.

Reinforcement Learning (RL) has proven to be an effective post-training strategy for enhancing reasoning in vision-language models (VLMs). Group Relative Policy Optimization (GRPO) is a recent prominent method that encourages models to generate complete reasoning traces before answering, leading to increased token usage and computational cost. Inspired by the human-like thinking process-where people skip reasoning for easy questions but think carefully when needed-we explore how to enable VLMs to first decide when reasoning is necessary. To realize this, we propose TON, a two-stage training strategy: (i) a supervised fine-tuning (SFT) stage with a simple yet effective 'thought dropout' operation, where reasoning traces are randomly replaced with empty thoughts. This introduces a think-or-not format that serves as a cold start for selective reasoning; (ii) a GRPO stage that enables the model to freely explore when to think or not, while maximizing task-aware outcome rewards. Experimental results show that TON can reduce the completion length by up to 90% compared to vanilla GRPO, without sacrificing performance or even improving it. Further evaluations across LLM (GSM8K), VLM (CLEVR, Super-CLEVR, GeoQA), and Agentic (AITZ) tasks-covering a range of reasoning difficulties under both 3B and 7B models-consistently reveal that the model progressively learns to bypass unnecessary reasoning steps as training advances. These findings shed light on the path toward human-like reasoning patterns in RL approaches. Our code is available at https://github.com/kokolerk/TON.

Jiaqi Wang, Yuhang Zhou, Zhixiong Zhang et al.

Out-of-distribution generalization is a common problem that expects the model to perform well in the different distributions even far from the train data. A popular approach to addressing this issue is invariant learning (IL), in which the model is compiled to focus on invariant features instead of spurious features by adding strong constraints during training. However, there are some potential pitfalls of strong invariant constraints. Due to the limited number of diverse environments and over-regularization in the feature space, it may lead to a loss of important details in the invariant features while alleviating the spurious correlations, namely the over-invariance, which can also degrade the generalization performance. We theoretically define the over-invariance and observe that this issue occurs in various classic IL methods. To alleviate this issue, we propose a simple approach Diverse Invariant Learning (DivIL) by adding the unsupervised contrastive learning and the random masking mechanism compensatory for the invariant constraints, which can be applied to various IL methods. Furthermore, we conduct experiments across multiple modalities across 12 datasets and 6 classic models, verifying our over-invariance insight and the effectiveness of our DivIL framework. Our code is available at https://github.com/kokolerk/DivIL.

Jiaqi Wang, Weijia Wu, Yi Zhan et al.

Recent advances in video generation have produced vivid content that are often indistinguishable from real videos, making AI-generated video detection an emerging societal challenge. Prior AIGC detection benchmarks mostly evaluate video without audio, target broad narrative domains, and focus on classification solely. Yet it remains unclear whether state-of-the-art video generation models can produce immersive, audio-paired videos that reliably deceive humans and VLMs. To this end, we introduce Video Reality Test, an ASMR-sourced video benchmark suite for testing perceptual realism under tight audio-visual coupling, featuring the following dimensions: (i) Immersive ASMR video-audio sources. Built on carefully curated real ASMR videos, the benchmark targets fine-grained action-object interactions with diversity across objects, actions, and backgrounds. (ii) Peer-Review evaluation. An adversarial creator-reviewer protocol where video generation models act as creators aiming to fool reviewers, while VLMs serve as reviewers seeking to identify fakeness. Our experimental findings show: The best creator Veo3.1-Fast even fools most VLMs: the strongest reviewer (Gemini 2.5-Pro) achieves only 56% accuracy (random 50%), far below that of human experts (81.25%). Adding audio improves real-fake discrimination, yet superficial cues such as watermarks can still significantly mislead models. These findings delineate the current boundary of video generation realism and expose limitations of VLMs in perceptual fidelity and audio-visual consistency. Our code is available at https://github.com/video-reality-test/video-reality-test.

Yuntao Gui, James Cheng

Despite their remarkable natural language understanding capabilities, Large Language Models (LLMs) have been underutilized for retrieval tasks. We present Search-R3, a novel framework that addresses this limitation by adapting LLMs to generate search embeddings as a direct output of their reasoning process. Our approach exploits LLMs' chain-of-thought capabilities, allowing them to produce more effective embeddings by reasoning step-by-step through complex semantic analyses. We implement this through three complementary mechanisms. (1) a supervised learning stage enables the model's ability to produce quality embeddings, (2) a reinforcement learning (RL) methodology that optimizes embedding generation alongside reasoning, and (3) a specialized RL environment that efficiently handles evolving embedding representations without requiring complete corpus re-encoding at each training iteration. Our extensive evaluations on diverse benchmarks demonstrate that Search-R3 significantly outperforms prior methods by unifying the reasoning and embedding generation processes. This integrated post-training approach represents a substantial advancement in handling complex knowledge-intensive tasks that require both sophisticated reasoning and effective information retrieval. Project page: https://github.com/ytgui/Search-R3

Guoji Fu, Yifan Hou, Jian Zhang et al.

Graph neural networks (GNNs) have attracted much attention because of their excellent performance on tasks such as node classification. However, there is inadequate understanding on how and why GNNs work, especially for node representation learning. This paper aims to provide a theoretical framework to understand GNNs, specifically, spectral graph convolutional networks and graph attention networks, from graph signal denoising perspectives. Our framework shows that GNNs are implicitly solving graph signal denoising problems: spectral graph convolutions work as denoising node features, while graph attentions work as denoising edge weights. We also show that a linear self-attention mechanism is able to compete with the state-of-the-art graph attention methods. Our theoretical results further lead to two new models, GSDN-F and GSDN-EF, which work effectively for graphs with noisy node features and/or noisy edges. We validate our theoretical findings and also the effectiveness of our new models by experiments on benchmark datasets. The source code is available at \url{https://github.com/fuguoji/GSDN}.

Jiaqi Wang, Wenhao Zhang, Weijie Shi et al.

On-policy distillation (OPD) has shown strong potential for transferring reasoning ability from frontier or domain-specific models to smaller students. While effective on static single-turn tasks, its behavior in multi-turn agent settings remains underexplored. In this work, we identify a key limitation of vanilla OPD in such settings, which we term Trajectory-Level KL Instability. Specifically, we observe that KL divergence increases together with a drop in success rate, and even after convergence, the KL remains high, leading to unstable training. This instability arises from inter-turn error compounding: as errors accumulate, the student is driven beyond the teacher's effective support, rendering the supervision signal unreliable. To address this, we propose TCOD (Temporal Curriculum On-Policy Distillation), a simple yet effective framework that controls the trajectory depth exposed to the student and progressively expands it from short to long with a curriculum schedule.Experimental results across four student-teacher pairs on three multi-turn agent benchmarks (ALFWorld, WebShop, ScienceWorld) show that TCOD mitigates KL escalation and enhances KL stability throughout training, improving agent performance by up to 18 points over vanilla OPD. Further evaluations show that TCOD can even surpass the teacher's performance and generalize to tasks on which the teacher fails.

Zixuan Chen, Hao Lin, Zizhe Chen et al.

LLMs reliably correct false claims when presented in isolation, yet when the same claims are embedded in task-oriented requests, they often comply rather than correct. We term this failure mode \emph{correction suppression} and construct a benchmark of 300 false premises to systematically evaluate it across eight models. Suppression rates range from 19\% to 90\%, with four models exceeding 80\%, establishing correction suppression as a prevalent and severe phenomenon. Mechanistic analysis reveals that suppression is not a knowledge failure: the model registers the error internally but task context diverts early-layer attention from the false claim as output intent crystallizes toward compliance at middle layers. We characterize this as \emph{knowing but not correcting} -- suppression occurs at response selection rather than knowledge encoding. Guided by this mechanism, we propose two training-free interventions. Correction Direction Steering (CDS) estimates a correction-compliance direction from matched pairs and injects it at middle layers before output intent crystallizes. Dynamic Payload Amplification (DPA) localizes payload tokens via attention divergence between early and late layers and amplifies their representation at the final layer, requiring no calibration data. Experiments on Qwen3.5-9B and LLaMA3.1-8B show both methods substantially improve factual strictness. CDS achieves the highest correction rate on Qwen3.5-9B (0\%$\to$58.2\%). DPA is the only method that preserves or improves reasoning capability on both models. These findings introduce \emph{factual strictness} -- the willingness to uphold accuracy against contextual pressures -- as a new dimension of model reliability.

Chenxi Liu, Yongqiang Chen, Tongliang Liu et al.

Revealing hidden causal variables alongside the underlying causal mechanisms is essential to the development of science. Despite the progress in the past decades, existing practice in causal discovery (CD) heavily relies on high-quality measured variables, which are usually given by human experts. In fact, the lack of well-defined high-level variables behind unstructured data has been a longstanding roadblock to a broader real-world application of CD. This procedure can naturally benefit from an automated process that can suggest potential hidden variables in the system. Interestingly, Large language models (LLMs) are trained on massive observations of the world and have demonstrated great capability in processing unstructured data. To leverage the power of LLMs, we develop a new framework termed Causal representatiOn AssistanT (COAT) that incorporates the rich world knowledge of LLMs to propose useful measured variables for CD with respect to high-value target variables on their paired unstructured data. Instead of directly inferring causality with LLMs, COAT constructs feedback from intermediate CD results to LLMs to refine the proposed variables. Given the target variable and the paired unstructured data, we first develop COAT-MB that leverages the predictivity of the proposed variables to iteratively uncover the Markov Blanket of the target variable. Built upon COAT-MB, COAT-PAG further extends to uncover a more complete causal graph, i.e., Partial Ancestral Graph, by iterating over the target variables and actively seeking new high-level variables. Moreover, the reliable CD capabilities of COAT also extend the debiased causal inference to unstructured data by discovering an adjustment set. We establish theoretical guarantees for the CD results and verify their efficiency and reliability across realistic benchmarks and real-world case studies.

Haoyu Huang, Yongfeng Huang, Junjie Yang et al.

Graph-based Retrieval-Augmented Generation (RAG) methods have significantly enhanced the performance of large language models (LLMs) in domain-specific tasks. However, existing RAG methods do not adequately utilize the naturally inherent hierarchical knowledge in human cognition, which limits the capabilities of RAG systems. In this paper, we introduce a new RAG approach, called HiRAG, which utilizes hierarchical knowledge to enhance the semantic understanding and structure capturing capabilities of RAG systems in the indexing and retrieval processes. Our extensive experiments demonstrate that HiRAG achieves significant performance improvements over the state-of-the-art baseline methods.

Qihui Zhou, Peiqi Yin, Pengfei Zuo et al.

Processing long contexts has become a critical capability for modern large language models (LLMs). However, serving long-context LLMs comes with significant inference costs due to the high memory overhead of the key-value (KV) cache. Existing work leverages dynamic sparse attention algorithms (DSAes) to mitigate the KV cache overhead, but these algorithms rely on top-$k$ KV cache selection, which results in a trade-off between accuracy and efficiency. A larger $k$ improves accuracy but decreases efficiency, while a smaller $k$ boosts efficiency but compromises accuracy. To overcome this trade-off, this paper presents PSA, a $\underline{P}$rogressive $\underline{S}$parse $\underline{A}$ttention mechanism that integrates algorithmic innovations with system co-design to achieve both high inference accuracy and improved efficiency in LLM serving. The PSA algorithm adaptively adjusts the KV cache budget of different tokens and layers according to their real attention weight distributions, rather than relying on a fixed budget $k$. This enables high accuracy while minimizing KV cache usage. To further enhance execution efficiency, we introduce a pipelined iteration scheme that reduces CPU-GPU interleaving and synchronization overhead during PSA computation. Additionally, we implement unified GPU memory management that optimizes PSA's memory utilization by accounting for uneven memory requirements across different model layers. Extensive experimental results demonstrate that PSA reduces KV cache usage for attention computation by up to 2.4$\times$ and 8.8$\times$, and increases end-to-end serving throughput by up to 1.4$\times$ and 2.0$\times$, compared to state-of-the-art DSAes and systems without sparse attention, respectively.

Deyu Zou, Yongqiang Chen, Mufei Li et al. · gatech

Graph-based retrieval-augmented generation (RAG) enables large language models (LLMs) to ground responses with structured external knowledge from up-to-date knowledge graphs (KGs) and reduce hallucinations. However, LLMs often rely on a weak retriever in graph-based RAG: I) Due to the lack of ground truth, the retriever is often trained on weak supervision, which often introduces spurious signals to the LLMs. II) Due to the abstraction of graph data, the retrieved knowledge is often presented in unorganized forms. To mitigate the issue, we present Refined Graph-based RAG (ReG) to align weak retrievers to LLMs for graph-based RAG. Specifically, ReG incorporates LLM feedback to get rid of spurious signals and improve the quality of the supervision. Meanwhile, ReG introduces a structure-aware reorganization module to refactor the retrieval results into logically coherent evidence chains. Experiments on prominent benchmarks demonstrate that ReG significantly and consistently brings improvements across different LLM backbones by up to 10%. The improved supervision quality enables ReG to match the state-of-the-art performance with 5% training data and to transfer to out-of-distribution KGs. Notably, when adopted to reasoning-based LLMs, ReG reduces the reasoning token cost by up to 30% and improves the performance by up to 4%.

Yuntao Gui, Xiao Yan, Peiqi Yin et al.

Transformer-based large language models (e.g., BERT and GPT) achieve great success, and fine-tuning, which tunes a pre-trained model on a task-specific dataset, is the standard practice to utilize these models for downstream tasks. However, Transformer fine-tuning has long running time and high memory consumption due to the large size of the models. We propose the SPT system to fine-tune Transformer-based models efficiently by introducing sparsity. We observe that the memory consumption of Transformer mainly comes from storing attention weights for multi-head attention (MHA), and the majority of running time is spent on feed-forward network (FFN). Thus, we design the sparse MHA module, which computes and stores only large attention weights to reduce memory consumption, and the routed FFN module, which dynamically activates a subset of model parameters for each token to reduce computation cost. We implement SPT on PyTorch and customize CUDA kernels to run sparse MHA and routed FFN efficiently. Specifically, we use product quantization to identify the large attention weights and compute attention via sparse matrix multiplication for sparse MHA. For routed FFN, we batch the tokens according to their activated model parameters for efficient computation. We conduct extensive experiments to evaluate SPT on various model configurations. The results show that SPT consistently outperforms well-optimized baselines, reducing the peak memory consumption by up to 50% and accelerating fine-tuning by up to 2.2x.

Chenxi Liu, Yongqiang Chen, Tongliang Liu et al.

System 2 reasoning is one of the defining characteristics of intelligence, which requires slow and logical thinking. Human conducts System 2 reasoning via the language of thoughts that organizes the reasoning process as a causal sequence of mental language, or thoughts. Recently, it has been observed that System 2 reasoning can be elicited from Large Language Models (LLMs) pre-trained on large-scale natural languages. However, in this work, we show that there is a significant gap between the modeling of languages and thoughts. As language is primarily a tool for humans to share knowledge and thinking, modeling human language can easily absorb language biases into LLMs deviated from the chain of thoughts in minds. Furthermore, we show that the biases will mislead the eliciting of "thoughts" in LLMs to focus only on a biased part of the premise. To this end, we propose a new prompt technique termed Language-of-Thoughts (LoT) to demonstrate and alleviate this gap. Instead of directly eliciting the chain of thoughts from partial information, LoT instructs LLMs to adjust the order and token used for the expressions of all the relevant information. We show that the simple strategy significantly reduces the language modeling biases in LLMs and improves the performance of LLMs across a variety of reasoning tasks.

Binghui Xie, Yatao Bian, Kaiwen zhou et al.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an \textit{invariant sufficient statistic} of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Yongqiang Chen, Gang Niu, James Cheng et al.

Accurate detection of errors in large language models (LLM) responses is central to the success of scalable oversight, or providing effective supervision to superhuman intelligence. Yet, self-diagnosis is often unreliable on complex tasks unless aided by reliable external feedback. Multi-agent debate (MAD) seems to be a natural alternative to external feedback: multiple LLMs provide complementary perspectives and cross-checks for error detection. However, prior MAD protocols frame debate as a zero-sum game, where the debaters compete to win the game instead of seeking the truth. Consequently, it leads to debate hacking: debaters tend to mislead the judge by misinterpreting the task or presenting overconfident claims, which introduce more mistakes and underperform single-agent methods. To mitigate the issue, we introduce a new collaborative MAD protocol, termed ColMAD, that reframes MAD as a non-zero sum game. Specifically, ColMAD encourages multiple agents to criticize each other in a supportive way, such that they can complement the missing points of each other. Therefore, the judge agent can make a more informative conclusion based on more comprehensive evidence. Empirically, we show that ColMAD significantly outperforms previous competitive MAD by 19% and brings non-trivial improvements over single-agent methods in error detection.

Deyu Zou, Yongqiang Chen, Jianxiang Wang et al. · gatech

Active reasoning requires large language models (LLMs) to interact with external sources and strategically gather information to solve problems. Central to this process is belief tracking: maintaining a coherent understanding of the problem state and the missing information toward the solution. However, due to limited reasoning capabilities, LLM-based agents often suffer from belief deviation: they struggle to correctly model beliefs, lose track of problem states, and fall into uninformative or repetitive actions. Once this happens, errors compound and reinforcement learning (RL) training fails to properly credit the crucial exploratory steps. To address this issue, we propose to track the deviation of model beliefs and develop $\mathbf{T^3}$, a simple yet effective method that detects excessive belief deviation and truncates trajectories during training to remove uninformative tails. By preserving credit for informative prefixes, $\mathbf{T^3}$ systematically improves policy optimization. Across 5 challenging tasks, $\mathbf{T^3}$ consistently enhances training stability, token efficiency, and final performance, achieving up to 30% gains while cutting rollout tokens by roughly 25%. These results highlight belief control as a key principle for developing robust and generalizable LLM-based active reasoners.

Garry Yang, Zizhe Chen, Man Hon Wong et al.

Large Video Models (LVMs) build on the semantic capabilities of Large Language Models (LLMs) and vision modules by integrating temporal information to better understand dynamic video content. Despite their progress, LVMs are prone to hallucinations-producing inaccurate or irrelevant descriptions. Current benchmarks for video hallucination depend heavily on manual categorization of video content, neglecting the perception-based processes through which humans naturally interpret videos. We introduce MESH, a benchmark designed to evaluate hallucinations in LVMs systematically. MESH uses a Question-Answering framework with binary and multi-choice formats incorporating target and trap instances. It follows a bottom-up approach, evaluating basic objects, coarse-to-fine subject features, and subject-action pairs, aligning with human video understanding. We demonstrate that MESH offers an effective and comprehensive approach for identifying hallucinations in videos. Our evaluations show that while LVMs excel at recognizing basic objects and features, their susceptibility to hallucinations increases markedly when handling fine details or aligning multiple actions involving various subjects in longer videos.

Jiaqi Wang, Xinyi Wu, James Cheng et al.

Deep graph neural networks (GNNs) often suffer from oversmoothing, where node representations become overly homogeneous with increasing depth. While techniques like normalization, residual connections, and edge dropout have been proposed to mitigate oversmoothing, they are typically developed independently, with limited theoretical understanding of their underlying mechanisms. In this work, we present a unified theoretical perspective based on the framework of signed graphs, showing that many existing strategies implicitly introduce negative edges that alter message-passing to resist oversmoothing. However, we show that merely adding negative edges in an unstructured manner is insufficient-the asymptotic behavior of signed propagation depends critically on the strength and organization of positive and negative edges. To address this limitation, we leverage the theory of structural balance, which promotes stable, cluster-preserving dynamics by connecting similar nodes with positive edges and dissimilar ones with negative edges. We propose Structural Balanced Propagation (SBP), a plug-and-play method that assigns signed edges based on either labels or feature similarity to explicitly enhance structural balance in the constructed signed graphs. Experiments on nine benchmarks across both homophilic and heterophilic settings demonstrate that SBP consistently improves classification accuracy and mitigates oversmoothing, even at depths of up to 300 layers. Our results provide a principled explanation for prior oversmoothing remedies and introduce a new direction for signed message-passing design in deep GNNs.

Yongqiang Chen, Quanming Yao, Juzheng Zhang et al.

Recently, there has been a surge of interest in extending the success of large language models (LLMs) from texts to molecules. Most existing approaches adopt a graph neural network to represent a molecule as a series of node tokens for molecule-language alignment, which, however, have overlooked the inherent hierarchical structures in molecules. Notably, higher-order molecular structures contain rich semantics of functional groups, which encode crucial biochemical functionalities of the molecules. We show that neglecting the hierarchical information in tokenization will lead to subpar molecule-language alignment and severe hallucination. To address this limitation, we propose HIerarchical GrapH Tokenization (HIGHT). HIGHT employs a hierarchical graph tokenizer that encodes the hierarchy of atom, motif, and molecular levels of informative tokens to improve the molecular perception of LLMs. HIGHT also adopts an augmented instruction tuning dataset, enriched with the hierarchical graph information, to further enhance the molecule-language alignment. Extensive experiments on 14 real-world benchmarks verify the effectiveness of HIGHT in reducing hallucination by 40%, and significant improvements in various molecule-language downstream tasks. The project is available at https: //higraphllm.github.io/.

Yongqiang Chen, Yatao Bian, Bo Han et al.

Interpretable graph neural networks (XGNNs ) are widely adopted in various scientific applications involving graph-structured data. Existing XGNNs predominantly adopt the attention-based mechanism to learn edge or node importance for extracting and making predictions with the interpretable subgraph. However, the representational properties and limitations of these methods remain inadequately explored. In this work, we present a theoretical framework that formulates interpretable subgraph learning with the multilinear extension of the subgraph distribution, coined as subgraph multilinear extension (SubMT). Extracting the desired interpretable subgraph requires an accurate approximation of SubMT, yet we find that the existing XGNNs can have a huge gap in fitting SubMT. Consequently, the SubMT approximation failure will lead to the degenerated interpretability of the extracted subgraphs. To mitigate the issue, we design a new XGNN architecture called Graph Multilinear neT (GMT), which is provably more powerful in approximating SubMT. We empirically validate our theoretical findings on a number of graph classification benchmarks. The results demonstrate that GMT outperforms the state-of-the-art up to 10% in terms of both interpretability and generalizability across 12 regular and geometric graph benchmarks.

Binghui Xie, Yongqiang Chen, Jiaqi Wang et al.

Domain generalization is a critical challenge for machine learning systems. Prior domain generalization methods focus on extracting domain-invariant features across several stationary domains to enable generalization to new domains. However, in non-stationary tasks where new domains evolve in an underlying continuous structure, such as time, merely extracting the invariant features is insufficient for generalization to the evolving new domains. Nevertheless, it is non-trivial to learn both evolving and invariant features within a single model due to their conflicts. To bridge this gap, we build causal models to characterize the distribution shifts concerning the two patterns, and propose to learn both dynamic and invariant features via a new framework called Mutual Information-Based Sequential Autoencoders (MISTS). MISTS adopts information theoretic constraints onto sequential autoencoders to disentangle the dynamic and invariant features, and leverage a domain adaptive classifier to make predictions based on both evolving and invariant information. Our experimental results on both synthetic and real-world datasets demonstrate that MISTS succeeds in capturing both evolving and invariant information, and present promising results in evolving domain generalization tasks.

Yongqiang Chen, Han Yang, Yonggang Zhang et al.

Recently Graph Injection Attack (GIA) emerges as a practical attack scenario on Graph Neural Networks (GNNs), where the adversary can merely inject few malicious nodes instead of modifying existing nodes or edges, i.e., Graph Modification Attack (GMA). Although GIA has achieved promising results, little is known about why it is successful and whether there is any pitfall behind the success. To understand the power of GIA, we compare it with GMA and find that GIA can be provably more harmful than GMA due to its relatively high flexibility. However, the high flexibility will also lead to great damage to the homophily distribution of the original graph, i.e., similarity among neighbors. Consequently, the threats of GIA can be easily alleviated or even prevented by homophily-based defenses designed to recover the original homophily. To mitigate the issue, we introduce a novel constraint -- homophily unnoticeability that enforces GIA to preserve the homophily, and propose Harmonious Adversarial Objective (HAO) to instantiate it. Extensive experiments verify that GIA with HAO can break homophily-based defenses and outperform previous GIA attacks by a significant margin. We believe our methods can serve for a more reliable evaluation of the robustness of GNNs.

Yongqiang Chen, Yonggang Zhang, Yatao Bian et al.

Despite recent success in using the invariance principle for out-of-distribution (OOD) generalization on Euclidean data (e.g., images), studies on graph data are still limited. Different from images, the complex nature of graphs poses unique challenges to adopting the invariance principle. In particular, distribution shifts on graphs can appear in a variety of forms such as attributes and structures, making it difficult to identify the invariance. Moreover, domain or environment partitions, which are often required by OOD methods on Euclidean data, could be highly expensive to obtain for graphs. To bridge this gap, we propose a new framework, called Causality Inspired Invariant Graph LeArning (CIGA), to capture the invariance of graphs for guaranteed OOD generalization under various distribution shifts. Specifically, we characterize potential distribution shifts on graphs with causal models, concluding that OOD generalization on graphs is achievable when models focus only on subgraphs containing the most information about the causes of labels. Accordingly, we propose an information-theoretic objective to extract the desired subgraphs that maximally preserve the invariant intra-class information. Learning with these subgraphs is immune to distribution shifts. Extensive experiments on 16 synthetic or real-world datasets, including a challenging setting -- DrugOOD, from AI-aided drug discovery, validate the superior OOD performance of CIGA.

Kaiwen Zhou, Anthony Man-Cho So, James Cheng

We show that stochastic acceleration can be achieved under the perturbed iterate framework (Mania et al., 2017) in asynchronous lock-free optimization, which leads to the optimal incremental gradient complexity for finite-sum objectives. We prove that our new accelerated method requires the same linear speed-up condition as the existing non-accelerated methods. Our core algorithmic discovery is a new accelerated SVRG variant with sparse updates. Empirical results are presented to verify our theoretical findings.

Ruize Gao, Feng Liu, Kaiwen Zhou et al.

Instances-reweighted adversarial training (IRAT) can significantly boost the robustness of trained models, where data being less/more vulnerable to the given attack are assigned smaller/larger weights during training. However, when tested on attacks different from the given attack simulated in training, the robustness may drop significantly (e.g., even worse than no reweighting). In this paper, we study this problem and propose our solution--locally reweighted adversarial training (LRAT). The rationale behind IRAT is that we do not need to pay much attention to an instance that is already safe under the attack. We argue that the safeness should be attack-dependent, so that for the same instance, its weight can change given different attacks based on the same model. Thus, if the attack simulated in training is mis-specified, the weights of IRAT are misleading. To this end, LRAT pairs each instance with its adversarial variants and performs local reweighting inside each pair, while performing no global reweighting--the rationale is to fit the instance itself if it is immune to the attack, but not to skip the pair, in order to passively defend different attacks in future. Experiments show that LRAT works better than both IRAT (i.e., global reweighting) and the standard AT (i.e., no reweighting) when trained with an attack and tested on different attacks.

Kaiwen Zhou, Lai Tian, Anthony Man-Cho So et al.

In convex optimization, the problem of finding near-stationary points has not been adequately studied yet, unlike other optimality measures such as the function value. Even in the deterministic case, the optimal method (OGM-G, due to Kim and Fessler (2021)) has just been discovered recently. In this work, we conduct a systematic study of algorithmic techniques for finding near-stationary points of convex finite-sums. Our main contributions are several algorithmic discoveries: (1) we discover a memory-saving variant of OGM-G based on the performance estimation problem approach (Drori and Teboulle, 2014); (2) we design a new accelerated SVRG variant that can simultaneously achieve fast rates for minimizing both the gradient norm and function value; (3) we propose an adaptively regularized accelerated SVRG variant, which does not require the knowledge of some unknown initial constants and achieves near-optimal complexities. We put an emphasis on the simplicity and practicality of the new schemes, which could facilitate future work.

Kaili Ma, Haochen Yang, Han Yang et al.

Graph contrastive learning algorithms have demonstrated remarkable success in various applications such as node classification, link prediction, and graph clustering. However, in unsupervised graph contrastive learning, some contrastive pairs may contradict the truths in downstream tasks and thus the decrease of losses on these pairs undesirably harms the performance in the downstream tasks. To assess the discrepancy between the prediction and the ground-truth in the downstream tasks for these contrastive pairs, we adapt the expected calibration error (ECE) to graph contrastive learning. The analysis of ECE motivates us to propose a novel regularization method, Contrast-Reg, to ensure that decreasing the contrastive loss leads to better performance in the downstream tasks. As a plug-in regularizer, Contrast-Reg effectively improves the performance of existing graph contrastive learning algorithms. We provide both theoretical and empirical results to demonstrate the effectiveness of Contrast-Reg in enhancing the generalizability of the Graph Neural Network(GNN) model and improving the performance of graph contrastive algorithms with different similarity definitions and encoder backbones across various downstream tasks.

Yitong Meng, Jie Liu, Xiao Yan et al.

When a new user just signs up on a website, we usually have no information about him/her, i.e. no interaction with items, no user profile and no social links with other users. Under such circumstances, we still expect our recommender systems could attract the users at the first time so that the users decide to stay on the website and become active users. This problem falls into new user cold-start category and it is crucial to the development and even survival of a company. Existing works on user cold-start recommendation either require additional user efforts, e.g. setting up an interview process, or make use of side information [10] such as user demographics, locations, social relations, etc. However, users may not be willing to take the interview and side information on cold-start users is usually not available. Therefore, we consider a pure cold-start scenario where neither interaction nor side information is available and no user effort is required. Studying this setting is also important for the initialization of other cold-start solutions, such as initializing the first few questions of an interview.

Han Yang, Kaili Ma, James Cheng

The graph Laplacian regularization term is usually used in semi-supervised representation learning to provide graph structure information for a model $f(X)$. However, with the recent popularity of graph neural networks (GNNs), directly encoding graph structure $A$ into a model, i.e., $f(A, X)$, has become the more common approach. While we show that graph Laplacian regularization brings little-to-no benefit to existing GNNs, and propose a simple but non-trivial variant of graph Laplacian regularization, called Propagation-regularization (P-reg), to boost the performance of existing GNN models. We provide formal analyses to show that P-reg not only infuses extra information (that is not captured by the traditional graph Laplacian regularization) into GNNs, but also has the capacity equivalent to an infinite-depth graph convolutional network. We demonstrate that P-reg can effectively boost the performance of existing GNN models on both node-level and graph-level tasks across many different datasets.

Kaiwen Zhou, Anthony Man-Cho So, James Cheng

We propose a new methodology to design first-order methods for unconstrained strongly convex problems. Specifically, instead of tackling the original objective directly, we construct a shifted objective function that has the same minimizer as the original objective and encodes both the smoothness and strong convexity of the original objective in an interpolation condition. We then propose an algorithmic template for tackling the shifted objective, which can exploit such a condition. Following this template, we derive several new accelerated schemes for problems that are equipped with various first-order oracles and show that the interpolation condition allows us to vastly simplify and tighten the analysis of the derived methods. In particular, all the derived methods have faster worst-case convergence rates than their existing counterparts. Experiments on machine learning tasks are conducted to evaluate the new methods.

Zhenkun Cai, Kaihao Ma, Xiao Yan et al.

A good parallelization strategy can significantly improve the efficiency or reduce the cost for the distributed training of deep neural networks (DNNs). Recently, several methods have been proposed to find efficient parallelization strategies but they all optimize a single objective (e.g., execution time, memory consumption) and produce only one strategy. We propose FT, an efficient algorithm that searches for an optimal set of parallelization strategies to allow the trade-off among different objectives. FT can adapt to different scenarios by minimizing the memory consumption when the number of devices is limited and fully utilize additional resources to reduce the execution time. For popular DNN models (e.g., vision, language), an in-depth analysis is conducted to understand the trade-offs among different objectives and their influence on the parallelization strategies. We also develop a user-friendly system, called TensorOpt, which allows users to run their distributed DNN training jobs without caring the details of parallelization strategies. Experimental results show that FT runs efficiently and provides accurate estimation of runtime costs, and TensorOpt is more flexible in adapting to resource availability compared with existing frameworks.

Han Yang, Xiao Yan, Xinyan Dai et al.

Graph neural networks (GNNs) have received much attention recently because of their excellent performance on graph-based tasks. However, existing research on GNNs focuses on designing more effective models without considering much about the quality of the input data. In this paper, we propose self-enhanced GNN (SEG), which improves the quality of the input data using the outputs of existing GNN models for better performance on semi-supervised node classification. As graph data consist of both topology and node labels, we improve input data quality from both perspectives. For topology, we observe that higher classification accuracy can be achieved when the ratio of inter-class edges (connecting nodes from different classes) is low and propose topology update to remove inter-class edges and add intra-class edges. For node labels, we propose training node augmentation, which enlarges the training set using the labels predicted by existing GNN models. SEG is a general framework that can be easily combined with existing GNN models. Experimental results validate that SEG consistently improves the performance of well-known GNN models such as GCN, GAT and SGC across different datasets.