Tong Wang

Rui Meng, Tong Wang, Xingdi Yuan et al. · microsoft-research

Training keyphrase generation (KPG) models require a large amount of annotated data, which can be prohibitively expensive and often limited to specific domains. In this study, we first demonstrate that large distribution shifts among different domains severely hinder the transferability of KPG models. We then propose a three-stage pipeline, which gradually guides KPG models' learning focus from general syntactical features to domain-related semantics, in a data-efficient manner. With Domain-general Phrase pre-training, we pre-train Sequence-to-Sequence models with generic phrase annotations that are widely available on the web, which enables the models to generate phrases in a wide range of domains. The resulting model is then applied in the Transfer Labeling stage to produce domain-specific pseudo keyphrases, which help adapt models to a new domain. Finally, we fine-tune the model with limited data with true labels to fully adapt it to the target domain. Our experiment results show that the proposed process can produce good-quality keyphrases in new domains and achieve consistent improvements after adaptation with limited in-domain annotated data. All code and datasets are available at https://github.com/memray/OpenNMT-kpg-release.

Rania Abdelghani, Yen-Hsiang Wang, Xingdi Yuan et al. · microsoft-research

In order to train children's ability to ask curiosity-driven questions, previous research has explored designing specific exercises relying on providing semantic and linguistic cues to help formulate such questions. But despite showing pedagogical efficiency, this method is still limited as it relies on generating the said cues by hand, which can be a very costly process. In this context, we propose to leverage advances in the natural language processing field (NLP) and investigate the efficiency of using a large language model (LLM) for automating the production of the pedagogical content of a curious question-asking (QA) training. We study generating the said content using the "prompt-based" method that consists of explaining the task to the LLM in natural text. We evaluate the output using human experts annotations and comparisons with hand-generated content. Results suggested indeed the relevance and usefulness of this content. We also conduct a field study in primary school (75 children aged 9-10), where we evaluate children's QA performance when having this training. We compare 3 types of content : 1) hand-generated content that proposes "closed" cues leading to predefined questions; 2) GPT-3-generated content that proposes the same type of cues; 3) GPT-3-generated content that proposes "open" cues leading to several possible questions. We see a similar QA performance between the two "closed" trainings (showing the scalability of the approach using GPT-3), and a better one for participants with the "open" training. These results suggest the efficiency of using LLMs to support children in generating more curious questions, using a natural language prompting approach that affords usability by teachers and other users not specialists of AI techniques. Furthermore, results also show that open-ended content may be more suitable for training curious question-asking skills.

Xingdi Yuan, Tong Wang, Yen-Hsiang Wang et al. · microsoft-research

Large Language Models (LLMs) have in recent years demonstrated impressive prowess in natural language generation. A common practice to improve generation diversity is to sample multiple outputs from the model. However, there lacks a simple and robust way of selecting the best output from these stochastic samples. As a case study framed in the context of question generation, we propose two prompt-based approaches to selecting high-quality questions from a set of LLM-generated candidates. Our method works under the constraints of 1) a black-box (non-modifiable) question generation model and 2) lack of access to human-annotated references -- both of which are realistic limitations for real-world deployment of LLMs. With automatic as well as human evaluations, we empirically demonstrate that our approach can effectively select questions of higher qualities than greedy generation.

Haochen Wang, Junsong Fan, Yuxi Wang et al.

As it is empirically observed that Vision Transformers (ViTs) are quite insensitive to the order of input tokens, the need for an appropriate self-supervised pretext task that enhances the location awareness of ViTs is becoming evident. To address this, we present DropPos, a novel pretext task designed to reconstruct Dropped Positions. The formulation of DropPos is simple: we first drop a large random subset of positional embeddings and then the model classifies the actual position for each non-overlapping patch among all possible positions solely based on their visual appearance. To avoid trivial solutions, we increase the difficulty of this task by keeping only a subset of patches visible. Additionally, considering there may be different patches with similar visual appearances, we propose position smoothing and attentive reconstruction strategies to relax this classification problem, since it is not necessary to reconstruct their exact positions in these cases. Empirical evaluations of DropPos show strong capabilities. DropPos outperforms supervised pre-training and achieves competitive results compared with state-of-the-art self-supervised alternatives on a wide range of downstream benchmarks. This suggests that explicitly encouraging spatial reasoning abilities, as DropPos does, indeed contributes to the improved location awareness of ViTs. The code is publicly available at https://github.com/Haochen-Wang409/DropPos.

Kehan Wu, Yingce Xia, Yang Fan et al. · microsoft-research

Structure-based drug design is drawing growing attentions in computer-aided drug discovery. Compared with the virtual screening approach where a pre-defined library of compounds are computationally screened, de novo drug design based on the structure of a target protein can provide novel drug candidates. In this paper, we present a generative solution named TamGent (Target-aware molecule generator with Transformer) that can directly generate candidate drugs from scratch for a given target, overcoming the limits imposed by existing compound libraries. Following the Transformer framework (a state-of-the-art framework in deep learning), we design a variant of Transformer encoder to process 3D geometric information of targets and pre-train the Transformer decoder on 10 million compounds from PubChem for candidate drug generation. Systematical evaluation on candidate compounds generated for targets from DrugBank shows that both binding affinity and drugability are largely improved. TamGent outperforms previous baselines in terms of both effectiveness and efficiency. The method is further verified by generating candidate compounds for the SARS-CoV-2 main protease and the oncogenic mutant KRAS G12C. The results show that our method not only re-discovers previously verified drug molecules , but also generates novel molecules with better docking scores, expanding the compound pool and potentially leading to the discovery of novel drugs.

Qingyi Si, Tong Wang, Zheng Lin et al.

The success of ChatGPT validates the potential of large language models (LLMs) in artificial general intelligence (AGI). Subsequently, the release of LLMs has sparked the open-source community's interest in instruction-tuning, which is deemed to accelerate ChatGPT's replication process. However, research on instruction-tuning LLMs in Chinese, the world's most spoken language, is still in its early stages. Therefore, this paper makes an in-depth empirical study of instruction-tuning LLMs in Chinese, which can serve as a cookbook that provides valuable findings for effectively customizing LLMs that can better respond to Chinese instructions. Specifically, we systematically explore the impact of LLM bases, parameter-efficient methods, instruction data types, which are the three most important elements for instruction-tuning. Besides, we also conduct experiment to study the impact of other factors, e.g., chain-of-thought data and human-value alignment. We hope that this empirical study can make a modest contribution to the open Chinese version of ChatGPT. This paper will release a powerful Chinese LLMs that is comparable to ChatGLM. The code and data are available at https://github.com/PhoebusSi/Alpaca-CoT.

He Bai, Tong Wang, Alessandro Sordoni et al. · apple-ml

Class-based language models (LMs) have been long devised to address context sparsity in $n$-gram LMs. In this study, we revisit this approach in the context of neural LMs. We hypothesize that class-based prediction leads to an implicit context aggregation for similar words and thus can improve generalization for rare words. We map words that have a common WordNet hypernym to the same class and train large neural LMs by gradually annealing from predicting the class to token prediction during training. Empirically, this curriculum learning strategy consistently improves perplexity over various large, highly-performant state-of-the-art Transformer-based models on two datasets, WikiText-103 and Arxiv. Our analysis shows that the performance improvement is achieved without sacrificing performance on rare words. Finally, we document other attempts that failed to yield empirical gains, and discuss future directions for the adoption of class-based LMs on a larger scale.

Mingxiao Wang, Xiaozhen Qu, Bolin Gao et al.

Traffic sign detection is a fundamental component of environmental perception in autonomous driving and intelligent transportation systems. However, most existing detectors rely on static inference with globally shared parameters, limiting their ability to adapt to diverse and unstructured traffic scenarios. As a result, a single static model often struggles to simultaneously handle both clear near-range samples and challenging conditions such as distant small targets or adverse weather environments. To address this limitation, we propose CBDES MoE TSR, a hierarchically decoupled heterogeneous mixture-of-experts(MoE) framework for traffic sign recognition. The proposed framework departs from the conventional globally shared parameter paradigm by introducing a heterogeneous You Only Look Once (YOLO) expert pool together with a lightweight gating network, enabling an image-level dynamic routing mechanism. Based on the semantic characteristics of the input image, the gating module selectively activates the most suitable expert model from the expert pool, enabling a shift from fixed parameter fitting to on-demand dynamic representation. This design enhances feature extraction capability for specific scenarios while maintaining controlled inference overhead. Experimental results demonstrate that the proposed method achieves a remarkable balance between detection accuracy and efficiency on the composite traffic sign dataset. Specifically, our method attains an mAP50-95 of 76.8%, yielding a 2.3% improvement over the baseline method (74.5%) while simultaneously reducing computational overhead by approximately 39.4%. These findings robustly validate the effectiveness of the proposed approach.

Zhe Liu, Jinghua Hou, Xiaoqing Ye et al.

Recently, detection transformers (DETRs) have gradually taken a dominant position in 2D detection thanks to their elegant framework. However, DETR-based detectors for 3D point clouds are still difficult to achieve satisfactory performance. We argue that the main challenges are twofold: 1) How to obtain the appropriate object queries is challenging due to the high sparsity and uneven distribution of point clouds; 2) How to implement an effective query interaction by exploiting the rich geometric structure of point clouds is not fully explored. To this end, we propose a simple and effective 3D DETR method (SEED) for detecting 3D objects from point clouds, which involves a dual query selection (DQS) module and a deformable grid attention (DGA) module. More concretely, to obtain appropriate queries, DQS first ensures a high recall to retain a large number of queries by the predicted confidence scores and then further picks out high-quality queries according to the estimated quality scores. DGA uniformly divides each reference box into grids as the reference points and then utilizes the predicted offsets to achieve a flexible receptive field, allowing the network to focus on relevant regions and capture more informative features. Extensive ablation studies on DQS and DGA demonstrate its effectiveness. Furthermore, our SEED achieves state-of-the-art detection performance on both the large-scale Waymo and nuScenes datasets, illustrating the superiority of our proposed method. The code is available at https://github.com/happinesslz/SEED

Juan-Ni Wu, Tong Wang, Yue Chen et al.

Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale molecular representation framework called t-SMILES (tree-based SMILES) with three code algorithms: TSSA, TSDY and TSID. It describes molecules using SMILES-type strings obtained by performing a breadth-first search on a full binary tree formed from a fragmented molecular graph. Systematic evaluations using JTVAE, BRICS, MMPA, and Scaffold show the feasibility of constructing a multi-code molecular description system, where various descriptions complement each other, enhancing the overall performance. In addition, it can avoid overfitting and achieve higher novelty scores while maintaining reasonable similarity on labeled low-resource datasets, regardless of whether the model is original, data-augmented, or pre-trained then fine-tuned. Furthermore, it significantly outperforms classical SMILES, DeepSMILES, SELFIES and baseline models in goal-directed tasks. And it surpasses state-of-the-art fragment, graph and SMILES based approaches on ChEMBL, Zinc, and QM9.

Tong Wang, Yuan Yao, Feng Xu et al.

Backdoor attacks have been shown to be a serious security threat against deep learning models, and detecting whether a given model has been backdoored becomes a crucial task. Existing defenses are mainly built upon the observation that the backdoor trigger is usually of small size or affects the activation of only a few neurons. However, the above observations are violated in many cases especially for advanced backdoor attacks, hindering the performance and applicability of the existing defenses. In this paper, we propose a backdoor defense DTInspector built upon a new observation. That is, an effective backdoor attack usually requires high prediction confidence on the poisoned training samples, so as to ensure that the trained model exhibits the targeted behavior with a high probability. Based on this observation, DTInspector first learns a patch that could change the predictions of most high-confidence data, and then decides the existence of backdoor by checking the ratio of prediction changes after applying the learned patch on the low-confidence data. Extensive evaluations on five backdoor attacks, four datasets, and three advanced attacking types demonstrate the effectiveness of the proposed defense.

Ronilo J. Ragodos, Tong Wang, Qihang Lin et al.

While deep reinforcement learning has proven to be successful in solving control tasks, the "black-box" nature of an agent has received increasing concerns. We propose a prototype-based post-hoc policy explainer, ProtoX, that explains a blackbox agent by prototyping the agent's behaviors into scenarios, each represented by a prototypical state. When learning prototypes, ProtoX considers both visual similarity and scenario similarity. The latter is unique to the reinforcement learning context, since it explains why the same action is taken in visually different states. To teach ProtoX about visual similarity, we pre-train an encoder using contrastive learning via self-supervised learning to recognize states as similar if they occur close together in time and receive the same action from the black-box agent. We then add an isometry layer to allow ProtoX to adapt scenario similarity to the downstream task. ProtoX is trained via imitation learning using behavior cloning, and thus requires no access to the environment or agent. In addition to explanation fidelity, we design different prototype shaping terms in the objective function to encourage better interpretability. We conduct various experiments to test ProtoX. Results show that ProtoX achieved high fidelity to the original black-box agent while providing meaningful and understandable explanations.

He Zhang, Siyuan Liu, Jiacheng You et al.

Orbital-free density functional theory (OFDFT) is a quantum chemistry formulation that has a lower cost scaling than the prevailing Kohn-Sham DFT, which is increasingly desired for contemporary molecular research. However, its accuracy is limited by the kinetic energy density functional, which is notoriously hard to approximate for non-periodic molecular systems. Here we propose M-OFDFT, an OFDFT approach capable of solving molecular systems using a deep learning functional model. We build the essential non-locality into the model, which is made affordable by the concise density representation as expansion coefficients under an atomic basis. With techniques to address unconventional learning challenges therein, M-OFDFT achieves a comparable accuracy with Kohn-Sham DFT on a wide range of molecules untouched by OFDFT before. More attractively, M-OFDFT extrapolates well to molecules much larger than those seen in training, which unleashes the appealing scaling of OFDFT for studying large molecules including proteins, representing an advancement of the accuracy-efficiency trade-off frontier in quantum chemistry.

Tong Wang, Guanyu Yang, Qijia He et al.

Attributed graph clustering is one of the most fundamental tasks among graph learning field, the goal of which is to group nodes with similar representations into the same cluster without human annotations. Recent studies based on graph contrastive learning method have achieved remarkable results when exploit graph-structured data. However, most existing methods 1) do not directly address the clustering task, since the representation learning and clustering process are separated; 2) depend too much on data augmentation, which greatly limits the capability of contrastive learning; 3) ignore the contrastive message for clustering tasks, which adversely degenerate the clustering results. In this paper, we propose a Neighborhood Contrast Framework for Attributed Graph Clustering, namely NCAGC, seeking for conquering the aforementioned limitations. Specifically, by leveraging the Neighborhood Contrast Module, the representation of neighbor nodes will be 'push closer' and become clustering-oriented with the neighborhood contrast loss. Moreover, a Contrastive Self-Expression Module is built by minimizing the node representation before and after the self-expression layer to constraint the learning of self-expression matrix. All the modules of NCAGC are optimized in a unified framework, so the learned node representation contains clustering-oriented messages. Extensive experimental results on four attributed graph datasets demonstrate the promising performance of NCAGC compared with 16 state-of-the-art clustering methods. The code is available at https://github.com/wangtong627/NCAGC.

Huimin Wang, Yue Wang, Bihao Cui et al.

We introduce ReflectDrive-2, a masked discrete diffusion planner with separate action expert for autonomous driving that represents plans as discrete trajectory tokens and generates them through parallel masked decoding. This discrete token space enables in-place trajectory revision: AutoEdit rewrites selected tokens using the same model, without requiring an auxiliary refinement network. To train this capability, we use a two-stage procedure. First, we construct structure-aware perturbations of expert trajectories along longitudinal progress and lateral heading directions and supervise the model to recover the original expert trajectory. We then fine-tune the full decision--draft--reflect rollout with reinforcement learning (RL), assigning terminal driving reward to the final post-edit trajectory and propagating policy-gradient credit through full-rollout transitions. Full-rollout RL proves crucial for coupling drafting and editing: under supervised training alone, inference-time AutoEdit improves PDMS by at most $0.3$, whereas RL increases its gain to $1.9$. We also co-design an efficient reflective decoding stack for the decision--draft--reflect pipeline, combining shared-prefix KV reuse, Alternating Step Decode, and fused on-device unmasking. On NAVSIM, ReflectDrive-2 achieves $91.0$ PDMS with camera-only input and $94.8$ PDMS in a best-of-6 oracle setting, while running at $31.8$ ms average latency on NVIDIA Thor.

Zimeng Li, Shichao Zhu, Bin Shao et al.

Drug-drug interaction (DDI) prediction provides a drug combination strategy for systemically effective treatment. Previous studies usually model drug information constrained on a single view such as the drug itself, leading to incomplete and noisy information, which limits the accuracy of DDI prediction. In this work, we propose a novel multi- view drug substructure network for DDI prediction (MSN-DDI), which learns chemical substructures from both the representations of the single drug (intra-view) and the drug pair (inter-view) simultaneously and utilizes the substructures to update the drug representation iteratively. Comprehensive evaluations demonstrate that MSN-DDI has almost solved DDI prediction for existing drugs by achieving a relatively improved accuracy of 19.32% and an over 99% accuracy under the transductive setting. More importantly, MSN-DDI exhibits better generalization ability to unseen drugs with a relatively improved accuracy of 7.07% under more challenging inductive scenarios. Finally, MSN-DDI improves prediction performance for real-world DDI applications to new drugs.

Yangguang Chen, Tong Wang, Guanzhou Chen et al.

The detection of façade elements on buildings, such as doors, windows, balconies, air conditioning units, billboards, and glass curtain walls, is a critical step in automating the creation of Building Information Modeling (BIM). Yet, this field faces significant challenges, including the uneven distribution of façade elements, the presence of small objects, and substantial background noise, which hamper detection accuracy. To address these issues, we develop the BFA-YOLO model and the BFA-3D dataset in this study. The BFA-YOLO model is an advanced architecture designed specifically for analyzing multi-view images of façade attachments. It integrates three novel components: the Feature Balanced Spindle Module (FBSM) that tackles the issue of uneven object distribution; the Target Dynamic Alignment Task Detection Head (TDATH) that enhances the detection of small objects; and the Position Memory Enhanced Self-Attention Mechanism (PMESA), aimed at reducing the impact of background noise. These elements collectively enable BFA-YOLO to effectively address each challenge, thereby improving model robustness and detection precision. The BFA-3D dataset, offers multi-view images with precise annotations across a wide range of façade attachment categories. This dataset is developed to address the limitations present in existing façade detection datasets, which often feature a single perspective and insufficient category coverage. Through comparative analysis, BFA-YOLO demonstrated improvements of 1.8\% and 2.9\% in mAP$_{50}$ on the BFA-3D dataset and the public Façade-WHU dataset, respectively, when compared to the baseline YOLOv8 model. These results highlight the superior performance of BFA-YOLO in façade element detection and the advancement of intelligent BIM technologies.

Shuo Ni, Tong Wang, Jing Zhang et al.

Vision-Language Models (VLMs) increasingly operate on ultra-high-resolution (UHR) Earth observation imagery, yet they remain vulnerable to a severe scale mismatch between large-scale scene context and micro-scale targets. We refer to this empirical gap as a "resolution illusion": higher input resolution provides the appearance of richer visual detail, but does not necessarily yield reliable perception of spatially small, task-relevant evidence. To benchmark this challenge, we introduce UHR-Micro, a benchmark comprising 11,253 instructions grounded in 1,212 UHR images, designed to evaluate VLMs at the spatial limits of native Earth observation imagery. UHR-Micro spans diverse micro-target scales, context requirements, task families, and visual conditions, and provides diagnostic annotations that support controlled evaluation and fine-grained error attribution. Experiments with representative high-resolution VLMs show substantial failures in spatial grounding and evidence parsing, despite access to high-resolution inputs. Further analysis suggests that these failures are not fully resolved by increasing model capacity, but are closely tied to insufficient guidance in locating and using task-relevant micro-evidence. Motivated by this finding, we propose Micro-evidence Active Perception (MAP), a reference agent that decomposes queries into evidence-seeking steps, actively inspects candidate regions, and grounds its answers in localized observations. MAP-Agent improves micro-level perception by making high-resolution reasoning evidence-centered rather than image-centered. Together, UHR-Micro and MAP-Agent provide a diagnostic platform for evaluating, understanding, and advancing high-resolution reasoning in Earth observation VLMs. Datasets and source code were released at https://github.com/MiliLab/UHR-Micro.

Jinghua Hou, Tong Wang, Xiaoqing Ye et al.

Accurate depth information is crucial for enhancing the performance of multi-view 3D object detection. Despite the success of some existing multi-view 3D detectors utilizing pixel-wise depth supervision, they overlook two significant phenomena: 1) the depth supervision obtained from LiDAR points is usually distributed on the surface of the object, which is not so friendly to existing DETR-based 3D detectors due to the lack of the depth of 3D object center; 2) for distant objects, fine-grained depth estimation of the whole object is more challenging. Therefore, we argue that the object-wise depth (or 3D center of the object) is essential for accurate detection. In this paper, we propose a new multi-view 3D object detector named OPEN, whose main idea is to effectively inject object-wise depth information into the network through our proposed object-wise position embedding. Specifically, we first employ an object-wise depth encoder, which takes the pixel-wise depth map as a prior, to accurately estimate the object-wise depth. Then, we utilize the proposed object-wise position embedding to encode the object-wise depth information into the transformer decoder, thereby producing 3D object-aware features for final detection. Extensive experiments verify the effectiveness of our proposed method. Furthermore, OPEN achieves a new state-of-the-art performance with 64.4% NDS and 56.7% mAP on the nuScenes test benchmark.

Kaiyou Song, Shan Zhang, Zihao An et al.

In contrastive self-supervised learning, the common way to learn discriminative representation is to pull different augmented "views" of the same image closer while pushing all other images further apart, which has been proven to be effective. However, it is unavoidable to construct undesirable views containing different semantic concepts during the augmentation procedure. It would damage the semantic consistency of representation to pull these augmentations closer in the feature space indiscriminately. In this study, we introduce feature-level augmentation and propose a novel semantics-consistent feature search (SCFS) method to mitigate this negative effect. The main idea of SCFS is to adaptively search semantics-consistent features to enhance the contrast between semantics-consistent regions in different augmentations. Thus, the trained model can learn to focus on meaningful object regions, improving the semantic representation ability. Extensive experiments conducted on different datasets and tasks demonstrate that SCFS effectively improves the performance of self-supervised learning and achieves state-of-the-art performance on different downstream tasks.

Weisong Zhao, Tong Wang, Zichang Tan et al.

Group-based reinforcement learning has evolved from the arithmetic mean of GRPO to the geometric mean of GMPO. While GMPO improves stability by constraining a conservative objective, it shares a fundamental limitation with GRPO: reliance on a fixed aggregation geometry that ignores the evolving and heterogeneous nature of each trajectory. In this work, we unify these approaches under Power-Mean Policy Optimization (PMPO), a generalized framework that parameterizes the aggregation geometry via the power-mean geometry exponent p. Within this framework, GRPO and GMPO are recovered as special cases. Theoretically, we demonstrate that adjusting p modulates the concentration of gradient updates, effectively reweighting tokens based on their advantage contribution. To determine p adaptively, we introduce a Clip-aware Effective Sample Size (ESS) mechanism. Specifically, we propose a deterministic rule that maps a trajectory clipping fraction to a target ESS. Then, we solve for the specific p to align the trajectory induced ESS with this target one. This allows PMPO to dynamically transition between the aggressive arithmetic mean for reliable trajectories and the conservative geometric mean for unstable ones. Experiments on multiple mathematical reasoning benchmarks demonstrate that PMPO outperforms strong baselines.

Yusong Wang, Shaoning Li, Zun Wang et al.

In the technical report, we provide our solution for OGB-LSC 2022 Graph Regression Task. The target of this task is to predict the quantum chemical property, HOMO-LUMO gap for a given molecule on PCQM4Mv2 dataset. In the competition, we designed two kinds of models: Transformer-M-ViSNet which is an geometry-enhanced graph neural network for fully connected molecular graphs and Pretrained-3D-ViSNet which is a pretrained ViSNet by distilling geomeotric information from optimized structures. With an ensemble of 22 models, ViSNet Team achieved the MAE of 0.0723 eV on the test-challenge set, dramatically reducing the error by 39.75% compared with the best method in the last year competition.

Nicholas Wolczynski, Maytal Saar-Tsechansky, Tong Wang

Expert decision-makers (DMs) in high-stakes AI-assisted decision-making (AIaDM) settings receive and reconcile recommendations from AI systems before making their final decisions. We identify distinct properties of these settings which are key to developing AIaDM models that effectively benefit team performance. First, DMs incur reconciliation costs from exerting decision-making resources (e.g., time and effort) when reconciling AI recommendations that contradict their own judgment. Second, DMs in AIaDM settings exhibit algorithm discretion behavior (ADB), i.e., an idiosyncratic tendency to imperfectly accept or reject algorithmic recommendations for any given decision task. The human's reconciliation costs and imperfect discretion behavior introduce the need to develop AI systems which (1) provide recommendations selectively, (2) leverage the human partner's ADB to maximize the team's decision accuracy while regularizing for reconciliation costs, and (3) are inherently interpretable. We refer to the task of developing AI to advise humans in AIaDM settings as learning to advise and we address this task by first introducing the AI-assisted Team (AIaT)-Learning Framework. We instantiate our framework to develop TeamRules (TR): an algorithm that produces rule-based models and recommendations for AIaDM settings. TR is optimized to selectively advise a human and to trade-off reconciliation costs and team accuracy for a given environment by leveraging the human partner's ADB. Evaluations on synthetic and real-world benchmark datasets with a variety of simulated human accuracy and discretion behaviors show that TR robustly improves the team's objective across settings over interpretable, rule-based alternatives.

Shanshan Song, Tong Wang, Guohao Shen et al.

In this paper, we propose a new and unified approach for nonparametric regression and conditional distribution learning. Our approach simultaneously estimates a regression function and a conditional generator using a generative learning framework, where a conditional generator is a function that can generate samples from a conditional distribution. The main idea is to estimate a conditional generator that satisfies the constraint that it produces a good regression function estimator. We use deep neural networks to model the conditional generator. Our approach can handle problems with multivariate outcomes and covariates, and can be used to construct prediction intervals. We provide theoretical guarantees by deriving non-asymptotic error bounds and the distributional consistency of our approach under suitable assumptions. We also perform numerical experiments with simulated and real data to demonstrate the effectiveness and superiority of our approach over some existing approaches in various scenarios.

Yiran Yang, Xu Gao, Tong Wang et al.

Camera and LiDAR serve as informative sensors for accurate and robust autonomous driving systems. However, these sensors often exhibit heterogeneous natures, resulting in distributional modality gaps that present significant challenges for fusion. To address this, a robust fusion technique is crucial, particularly for enhancing 3D object detection. In this paper, we introduce a dynamic adjustment technology aimed at aligning modal distributions and learning effective modality representations to enhance the fusion process. Specifically, we propose a triphase domain aligning module. This module adjusts the feature distributions from both the camera and LiDAR, bringing them closer to the ground truth domain and minimizing differences. Additionally, we explore improved representation acquisition methods for dynamic fusion, which includes modal interaction and specialty enhancement. Finally, an adaptive learning technique that merges the semantics and geometry information for dynamical instance optimization. Extensive experiments in the nuScenes dataset present competitive performance with state-of-the-art approaches. Our code will be released in the future.

Tong Wang, Yiqing Xu, Leo Yang Yang

Interpretable text representations should expose coordinates that are not only predictive, but also meaningful enough for independent auditors to apply. Existing discriminative representations often use anonymous embedding directions, while concept-bottleneck and LLM-assisted methods attach natural-language names to features without ensuring that those definitions are reproducible or distinct from the target label. We propose an operational criterion for interpretable discriminative text representations: each coordinate should satisfy conceptual clarity, measured by chance-adjusted agreement between independent annotators applying the feature definition, and label disentanglement, meaning the feature should not merely paraphrase the prediction target. We instantiate this criterion in LLM-assisted Feature Discovery (LFD), an iterative method that proposes lexical and semantic features from contrastive outcome-opposed text pairs, screens candidates using cross-LLM Cohen's $κ$, and selects features by residual held-out predictive gain. A stylized analysis connects the $κ$ screen to a per-feature annotation-noise bound, formalizing agreement as a reliability check. Across ten text-classification tasks spanning seven corpora, LFD matches the predictive performance of a strong text bottleneck baseline while producing substantially clearer and less label-entangled features. Human audits with 232 raters show that LFD features achieve higher human--human and human--LLM agreement than baseline concepts, and raters consistently judge them as less label-leaking. These results suggest that agreement-tested, label-disentangled coordinates provide a practical auditability standard for interpretable text classification.

Tong Wang, Taotao Gu, Huan Deng et al.

As autonomous driving systems (ADS) advance towards higher levels of autonomy, orchestrating their safety verification becomes increasingly intricate. This paper unveils ScenarioFuzz, a pioneering scenario-based fuzz testing methodology. Designed like a choreographer who understands the past performances, it uncovers vulnerabilities in ADS without the crutch of predefined scenarios. Leveraging map road networks, such as OPENDRIVE, we extract essential data to form a foundational scenario seed corpus. This corpus, enriched with pertinent information, provides the necessary boundaries for fuzz testing in the absence of starting scenarios. Our approach integrates specialized mutators and mutation techniques, combined with a graph neural network model, to predict and filter out high-risk scenario seeds, optimizing the fuzzing process using historical test data. Compared to other methods, our approach reduces the time cost by an average of 60.3%, while the number of error scenarios discovered per unit of time increases by 103%. Furthermore, we propose a self-supervised collision trajectory clustering method, which aids in identifying and summarizing 54 high-risk scenario categories prone to inducing ADS faults. Our experiments have successfully uncovered 58 bugs across six tested systems, emphasizing the critical safety concerns of ADS.

Tong Wang, Yaolei Qi, Siwen Wang et al.

Video polyp segmentation (VPS) is an important task in computer-aided colonoscopy, as it helps doctors accurately locate and track polyps during examinations. However, VPS remains challenging because polyps often look similar to surrounding mucosa, leading to weak semantic discrimination. In addition, large changes in polyp position and scale across video frames make stable and accurate segmentation difficult. To address these challenges, we propose a robust VPS framework named CMSA-Net. The proposed network introduces a Causal Multi-scale Aggregation (CMA) module to effectively gather semantic information from multiple historical frames at different scales. By using causal attention, CMA ensures that temporal feature propagation follows strict time order, which helps reduce noise and improve feature reliability. Furthermore, we design a Dynamic Multi-source Reference (DMR) strategy that adaptively selects informative and reliable reference frames based on semantic separability and prediction confidence. This strategy provides strong multi-frame guidance while keeping the model efficient for real-time inference. Extensive experiments on the SUN-SEG dataset demonstrate that CMSA-Net achieves state-of-the-art performance, offering a favorable balance between segmentation accuracy and real-time clinical applicability.

Xiaoliang Tan, Guanzhou Chen, Tong Wang et al.

The field of Remote Sensing (RS) widely employs Change Detection (CD) on very-high-resolution (VHR) images. A majority of extant deep-learning-based methods hinge on annotated samples to complete the CD process. Recently, the emergence of Vision Foundation Model (VFM) enables zero-shot predictions in particular vision tasks. In this work, we propose an unsupervised CD method named Segment Change Model (SCM), built upon the Segment Anything Model (SAM) and Contrastive Language-Image Pre-training (CLIP). Our method recalibrates features extracted at different scales and integrates them in a top-down manner to enhance discriminative change edges. We further design an innovative Piecewise Semantic Attention (PSA) scheme, which can offer semantic representation without training, thereby minimize pseudo change phenomenon. Through conducting experiments on two public datasets, the proposed SCM increases the mIoU from 46.09% to 53.67% on the LEVIR-CD dataset, and from 47.56% to 52.14% on the WHU-CD dataset. Our codes are available at https://github.com/StephenApX/UCD-SCM.

Yuecheng Li, Lele Fu, Tong Wang et al.

To defend against privacy leakage of user data, differential privacy is widely used in federated learning, but it is not free. The addition of noise randomly disrupts the semantic integrity of the model and this disturbance accumulates with increased communication rounds. In this paper, we introduce a novel federated learning framework with rigorous privacy guarantees, named FedCEO, designed to strike a trade-off between model utility and user privacy by letting clients ''Collaborate with Each Other''. Specifically, we perform efficient tensor low-rank proximal optimization on stacked local model parameters at the server, demonstrating its capability to flexibly truncate high-frequency components in spectral space. This capability implies that our FedCEO can effectively recover the disrupted semantic information by smoothing the global semantic space for different privacy settings and continuous training processes. Moreover, we improve the SOTA utility-privacy trade-off bound by order of $\sqrt{d}$, where $d$ is the input dimension. We illustrate our theoretical results with experiments on representative datasets and observe significant performance improvements and strict privacy guarantees under different privacy settings. The code is available at https://github.com/6lyc/FedCEO_Collaborate-with-Each-Other.

Qingyuan Yang, Guanzhou Chen, Xiaoliang Tan et al.

Stereo matching and semantic segmentation are significant tasks in binocular satellite 3D reconstruction. However, previous studies primarily view these as independent parallel tasks, lacking an integrated multitask learning framework. This work introduces a solution, the Single-branch Semantic Stereo Network (S3Net), which innovatively combines semantic segmentation and stereo matching using Self-Fuse and Mutual-Fuse modules. Unlike preceding methods that utilize semantic or disparity information independently, our method dentifies and leverages the intrinsic link between these two tasks, leading to a more accurate understanding of semantic information and disparity estimation. Comparative testing on the US3D dataset proves the effectiveness of our S3Net. Our model improves the mIoU in semantic segmentation from 61.38 to 67.39, and reduces the D1-Error and average endpoint error (EPE) in disparity estimation from 10.051 to 9.579 and 1.439 to 1.403 respectively, surpassing existing competitive methods. Our codes are available at:https://github.com/CVEO/S3Net.

Hongxi Li, Tong Wang, Chengjing Wu et al.

Scene text editing aims to modify text in a target region of an image while preserving surrounding background style and texture. Existing methods rely solely on image background information while neglecting the visual details of target regions, which discards stylistic features in the original text and essentially degrades the task to text rendering. Moreover, the conditions imposed by pre-trained glyph encoder limit the scope of editable text. To address these issues, this paper proposes a self-prompting scene text editing method that constructs style and glyph prompts directly from the original image, without introducing additional style or glyph encoders. We employ a two-stage training strategy: the diffusion transformer is first trained on large-scale self-supervised data and then refined using a small set of paired images. By leveraging the in-context learning capability of the Multi-Modal Diffusion Transformer (MM-DiT), it achieves open-vocabulary and style-consistent text editing. Experimental results on various languages demonstrate that our method achieves the state-of-the-art performance in both text accuracy and style consistency. Our project page: \href{https://hongxiii.github.io/mstedit}{hongxiii.github.io/mstedit}.

Tong Wang, Meng Zou, Chengjing Wu et al.

Reference-guided video editing takes a source video, a text instruction, and a reference image as inputs, requiring the model to faithfully apply the instructed edits while preserving original motion and unedited content. Existing methods fall into two paradigms, each with inherent limitations: decoupled encoders suffer from modality gaps when processing instructions and visual content independently, while unified vision-language encoders lose fine-grained spatial details by relying solely on final-layer representations. We observe that VLM layers encode complementary information hierarchically -- early layers capture localized spatial details essential for precise editing, while deeper layers encode global semantics for instruction comprehension. Building on this insight, we present MiVE (Multiscale Vision-language features for reference-guided video Editing), a framework that repurposes VLMs as multiscale feature extractors. MiVE extracts hierarchical features from Qwen3-VL and integrates them into a unified self-attention Diffusion Transformer, eliminating the modality mismatch inherent in cross-attention designs. Experiments demonstrate that MiVE achieves state-of-the-art performance by ranking highest in human preference, outperforming both academic methods and commercial systems.

Tong Wang, Yunhan Zhao, Shu Kong

Composed Image Retrieval (CIR) is the task of retrieving a target image from a database using a multimodal query, which consists of a reference image and a modification text. The text specifies how to alter the reference image to form a ''mental image'', based on which CIR should find the target image in the database. The fundamental challenge of CIR is that this ''mental image'' is not physically available and is only implicitly defined by the query. The contemporary literature pursues zero-shot methods and uses a Large Multimodal Model (LMM) to generate a textual description for a given multimodal query, and then employs a Vision-Language Model (VLM) for textual-visual matching to search for the target image. In contrast, we address CIR from first principles by directly generating the ''mental image'' for more accurate matching. Particularly, we prompt an LMM to generate a ''mental image'' for a given multimodal query and propose to use this ''mental image'' to search for the target image. As the ''mental image'' has a synthetic-to-real domain gap with real images, we also generate a synthetic counterpart for each real image in the database to facilitate matching. In this sense, our method uses LMM to construct a ``paracosm'', where it matches the multimodal query and database images. Hence, we call this method Paracosm. Notably, Paracosm is a training-free zero-shot CIR method. It significantly outperforms existing zero-shot methods on challenging benchmarks, achieving state-of-the-art performance for zero-shot CIR.

Tong Wang, K. Sudhir

As large language models increasingly mediate firm - customer interactions, firms face a tradeoff: the most capable models perform well but are costly and difficult to control at scale. Existing knowledge distillation methods address this challenge by training weaker, deployable models to imitate frontier outputs; however, such open-loop approaches are poorly suited to interactive, multi-turn settings where responses must be sequenced coherently across conversational states. We propose a shift in what knowledge is distilled - from output imitation to contextual guidance. We develop a framework in which a superior teacher model constructs a reusable library of strategic textual guidance for particular scenarios likely to be encountered by the student. When deployed, the student retrieves the context-specific guidance at inference time, enabling adaptive behavior without retraining. Using customer-service interactions, we show that this approach improves service quality and customer satisfaction relative to standard fine-tuning while maintaining alignment with firm policies. The results position inference-time textual guidance as a scalable and controllable approach to distillation for interactive AI agents in marketing settings.

Jinxing Zhou, Yanghao Zhou, Mingfei Han et al.

Referring Audio-Visual Segmentation (Ref-AVS) aims to segment target objects in audible videos based on given reference expressions. Prior works typically rely on learning latent embeddings via multimodal fusion to prompt a tunable SAM/SAM2 decoder for segmentation, which requires strong pixel-level supervision and lacks interpretability. From a novel perspective of explicit reference understanding, we propose TGS-Agent, which decomposes the task into a Think-Ground-Segment process, mimicking the human reasoning procedure by first identifying the referred object through multimodal analysis, followed by coarse-grained grounding and precise segmentation. To this end, we first propose Ref-Thinker, a multimodal language model capable of reasoning over textual, visual, and auditory cues. We construct an instruction-tuning dataset with explicit object-aware think-answer chains for Ref-Thinker fine-tuning. The object description inferred by Ref-Thinker is used as an explicit prompt for Grounding-DINO and SAM2, which perform grounding and segmentation without relying on pixel-level supervision. Additionally, we introduce R\textsuperscript{2}-AVSBench, a new benchmark with linguistically diverse and reasoning-intensive references for better evaluating model generalization. Our approach achieves state-of-the-art results on both standard Ref-AVSBench and proposed R\textsuperscript{2}-AVSBench. Code will be available at https://github.com/jasongief/TGS-Agent.

Chiyu Zhang, Marc-Alexandre Cote, Michael Albada et al.

Large language model (LLM) agents have shown impressive capabilities in human language comprehension and reasoning, yet their potential in cybersecurity remains underexplored. We introduce DefenderBench, a practical, open-source toolkit for evaluating language agents across offense, defense, and cybersecurity knowledge-based tasks. DefenderBench includes environments for network intrusion, malicious content detection, code vulnerability analysis, and cybersecurity knowledge assessment. It is intentionally designed to be affordable and easily accessible for researchers while providing fair and rigorous assessment. We benchmark several state-of-the-art (SoTA) and popular LLMs, including both open- and closed-weight models, using a standardized agentic framework. Our results show that Claude-3.7-sonnet performs best with a DefenderBench score of 81.65, followed by Claude-3.7-sonnet-think with 78.40, while the best open-weight model, Llama 3.3 70B, is not far behind with a DefenderBench score of 71.81. DefenderBench's modular design allows seamless integration of custom LLMs and tasks, promoting reproducibility and fair comparisons. An anonymized version of DefenderBench is available at https://github.com/microsoft/DefenderBench.

Tong Wang, Shuichi Kurabayashi

Recent advances in Neural Radiance Fields (NeRF) have demonstrated significant potential for representing 3D scene appearances as implicit neural networks, enabling the synthesis of high-fidelity novel views. However, the lengthy training and rendering process hinders the widespread adoption of this promising technique for real-time rendering applications. To address this issue, we present an effective adaptive multi-NeRF method designed to accelerate the neural rendering process for large scenes with unbalanced workloads due to varying scene complexities. Our method adaptively subdivides scenes into axis-aligned bounding boxes using a tree hierarchy approach, assigning smaller NeRFs to different-sized subspaces based on the complexity of each scene portion. This ensures the underlying neural representation is specific to a particular part of the scene. We optimize scene subdivision by employing a guidance density grid, which balances representation capability for each Multilayer Perceptron (MLP). Consequently, samples generated by each ray can be sorted and collected for parallel inference, achieving a balanced workload suitable for small MLPs with consistent dimensions for regular and GPU-friendly computations. We aosl demonstrated an efficient NeRF sampling strategy that intrinsically adapts to increase parallelism, utilization, and reduce kernel calls, thereby achieving much higher GPU utilization and accelerating the rendering process.

Chengrui Xiang, Tengfei Ma, Yujie Chen et al.

Existing spectral benchmarks are limited in scale, modality alignment, and evaluation scope, and typically focus on either specialized models or multimodal language models (MLLMs). We introduce SpecX, a large-scale benchmark for multi-modal spectroscopy with cross-paradigm evaluation. SpecX contains 1.7M molecules with diverse spectral modalities, including NMR (1H, 13C, HSQC), IR, MS,UV,Raman and FL, and is organized into three tiers: a large-scale dataset for pretraining, an aligned multi-spectral subset for benchmarking, and a high-quality experimental subset for evaluation. SpecX supports a range of tasks such as molecular elucidation, spectrum simulation, and spectral understanding, and enables unified evaluation across both specialized spectral models and MLLMs. Experiments show that specialized models excel at signal-level modeling, while MLLMs exhibit strengths in high-level reasoning but lack precise spectral grounding. SpecX establishes a unified benchmark for spectral intelligence and highlights the need for spectrum-native foundation models.

Tong Wang, Xiaochao Qu, Ting Liu

Scene text editing aims to modify texts on images while maintaining the style of newly generated text similar to the original. Given an image, a target area, and target text, the task produces an output image with the target text in the selected area, replacing the original. This task has been studied extensively, with initial success using Generative Adversarial Networks (GANs) to balance text fidelity and style similarity. However, GAN-based methods struggled with complex backgrounds or text styles. Recent works leverage diffusion models, showing improved results, yet still face challenges, especially with non-Latin languages like CJK characters (Chinese, Japanese, Korean) that have complex glyphs, often producing inaccurate or unrecognizable characters. To address these issues, we present \emph{TextMastero} - a carefully designed multilingual scene text editing architecture based on latent diffusion models (LDMs). TextMastero introduces two key modules: a glyph conditioning module for fine-grained content control in generating accurate texts, and a latent guidance module for providing comprehensive style information to ensure similarity before and after editing. Both qualitative and quantitative experiments demonstrate that our method surpasses all known existing works in text fidelity and style similarity.

Tong Wang, Guanyu Yang, Nian Liu et al.

Visual Autoregressive (VAR) models have recently garnered significant attention for their innovative next-scale prediction paradigm, offering notable advantages in both inference efficiency and image quality compared to traditional multi-step autoregressive (AR) and diffusion models. However, despite their efficiency, VAR models often suffer from the diversity collapse i.e., a reduction in output variability, analogous to that observed in few-step distilled diffusion models. In this paper, we introduce DiverseVAR, a simple yet effective approach that restores the generative diversity of VAR models without requiring any additional training. Our analysis reveals the pivotal component of the feature map as a key factor governing diversity formation at early scales. By suppressing the pivotal component in the model input and amplifying it in the model output, DiverseVAR effectively unlocks the inherent generative potential of VAR models while preserving high-fidelity synthesis. Empirical results demonstrate that our approach substantially enhances generative diversity with only neglectable performance influences. Our code will be publicly released at https://github.com/wangtong627/DiverseVAR.

Shaohong Wang, Bin Lu, Xinyu Xiao et al.

Collaborative visual perception methods have gained widespread attention in the autonomous driving community in recent years due to their ability to address sensor limitation problems. However, the absence of explicit depth information often makes it difficult for camera-based perception systems, e.g., 3D object detection, to generate accurate predictions. To alleviate the ambiguity in depth estimation, we propose RayFusion, a ray-based fusion method for collaborative visual perception. Using ray occupancy information from collaborators, RayFusion reduces redundancy and false positive predictions along camera rays, enhancing the detection performance of purely camera-based collaborative perception systems. Comprehensive experiments show that our method consistently outperforms existing state-of-the-art models, substantially advancing the performance of collaborative visual perception. The code is available at https://github.com/wangsh0111/RayFusion.

Tong Wang, Guanzhou Chen, Xiaodong Zhang et al.

Remote sensing image interpretation plays a critical role in environmental monitoring, urban planning, and disaster assessment. However, acquiring high-quality labeled data is often costly and time-consuming. To address this challenge, we proposes a multi-modal self-supervised learning framework that leverages high-resolution RGB images, multi-spectral data, and digital surface models (DSM) for pre-training. By designing an information-aware adaptive masking strategy, cross-modal masking mechanism, and multi-task self-supervised objectives, the framework effectively captures both the correlations across different modalities and the unique feature structures within each modality. We evaluated the proposed method on multiple downstream tasks, covering typical remote sensing applications such as scene classification, semantic segmentation, change detection, object detection, and depth estimation. Experiments are conducted on 15 remote sensing datasets, encompassing 26 tasks. The results demonstrate that the proposed method outperforms existing pretraining approaches in most tasks. Specifically, on the Potsdam and Vaihingen semantic segmentation tasks, our method achieved mIoU scores of 78.30\% and 76.50\%, with only 50\% train-set. For the US3D depth estimation task, the RMSE error is reduced to 0.182, and for the binary change detection task in SECOND dataset, our method achieved mIoU scores of 47.51\%, surpassing the second CS-MAE by 3 percentage points. Our pretrain code, checkpoints, and HR-Pairs dataset can be found in https://github.com/CVEO/MSSDF.

Tong Wang, Jiaqi Wang, Shu Kong

Pretrained on web-scale open data, VLMs offer powerful capabilities for solving downstream tasks after being adapted to task-specific labeled data. Yet, data labeling can be expensive and may demand domain expertise. Active Learning (AL) aims to reduce this expense by strategically selecting the most informative data for labeling and model training. Recent AL methods have explored VLMs but have not leveraged publicly available open data, such as VLM's pretraining data. In this work, we leverage such data by retrieving task-relevant examples to augment the task-specific examples. As expected, incorporating them significantly improves AL. Given that our method exploits open-source VLM and open data, we refer to it as Active Learning with Open Resources (ALOR). Additionally, most VLM-based AL methods use prompt tuning (PT) for model adaptation, likely due to its ability to directly utilize pretrained parameters and the assumption that doing so reduces the risk of overfitting to limited labeled data. We rigorously compare popular adaptation approaches, including linear probing (LP), finetuning (FT), and contrastive tuning (CT). We reveal two key findings: (1) All adaptation approaches benefit from incorporating retrieved data, and (2) CT resoundingly outperforms other approaches across AL methods. Further analysis of retrieved data reveals a naturally imbalanced distribution of task-relevant classes, exposing inherent biases within the VLM. This motivates our novel Tail First Sampling (TFS) strategy for AL, an embarrassingly simple yet effective method that prioritizes sampling data from underrepresented classes to label. Extensive experiments demonstrate that our final method, contrastively finetuning VLM on both retrieved and TFS-selected labeled data, significantly outperforms existing methods.

Zongyan Han, Jiale Cao, Shuo Chen et al.

Open-Vocabulary Segmentation (OVS) has drawn increasing attention for its capacity to generalize segmentation beyond predefined categories. However, existing methods typically predict segmentation masks with simple forward inference, lacking explicit reasoning and interpretability. This makes it challenging for OVS model to distinguish similar categories in open-world settings due to the lack of contextual understanding and discriminative visual cues. To address this limitation, we propose a step-by-step visual reasoning framework for open-vocabulary segmentation, named OpenSeg-R. The proposed OpenSeg-R leverages Large Multimodal Models (LMMs) to perform hierarchical visual reasoning before segmentation. Specifically, we generate both generic and image-specific reasoning for each image, forming structured triplets that explain the visual reason for objects in a coarse-to-fine manner. Based on these reasoning steps, we can compose detailed description prompts, and feed them to the segmentor to produce more accurate segmentation masks. To the best of our knowledge, OpenSeg-R is the first framework to introduce explicit step-by-step visual reasoning into OVS. Experimental results demonstrate that OpenSeg-R significantly outperforms state-of-the-art methods on open-vocabulary semantic segmentation across five benchmark datasets. Moreover, it achieves consistent gains across all metrics on open-vocabulary panoptic segmentation. Qualitative results further highlight the effectiveness of our reasoning-guided framework in improving both segmentation precision and interpretability. Our code is publicly available at https://github.com/Hanzy1996/OpenSeg-R.

Jinhua Zhu, Yingce Xia, Chang Liu et al.

Molecular conformation generation aims to generate three-dimensional coordinates of all the atoms in a molecule and is an important task in bioinformatics and pharmacology. Previous methods usually first predict the interatomic distances, the gradients of interatomic distances or the local structures (e.g., torsion angles) of a molecule, and then reconstruct its 3D conformation. How to directly generate the conformation without the above intermediate values is not fully explored. In this work, we propose a method that directly predicts the coordinates of atoms: (1) the loss function is invariant to roto-translation of coordinates and permutation of symmetric atoms; (2) the newly proposed model adaptively aggregates the bond and atom information and iteratively refines the coordinates of the generated conformation. Our method achieves the best results on GEOM-QM9 and GEOM-Drugs datasets. Further analysis shows that our generated conformations have closer properties (e.g., HOMO-LUMO gap) with the groundtruth conformations. In addition, our method improves molecular docking by providing better initial conformations. All the results demonstrate the effectiveness of our method and the great potential of the direct approach. The code is released at https://github.com/DirectMolecularConfGen/DMCG

Tong Wang, Yousong Zhu, Chaoyang Zhao et al.

To address the problem of long-tail distribution for the large vocabulary object detection task, existing methods usually divide the whole categories into several groups and treat each group with different strategies. These methods bring the following two problems. One is the training inconsistency between adjacent categories of similar sizes, and the other is that the learned model is lack of discrimination for tail categories which are semantically similar to some of the head categories. In this paper, we devise a novel Adaptive Class Suppression Loss (ACSL) to effectively tackle the above problems and improve the detection performance of tail categories. Specifically, we introduce a statistic-free perspective to analyze the long-tail distribution, breaking the limitation of manual grouping. According to this perspective, our ACSL adjusts the suppression gradients for each sample of each class adaptively, ensuring the training consistency and boosting the discrimination for rare categories. Extensive experiments on long-tail datasets LVIS and Open Images show that the our ACSL achieves 5.18% and 5.2% improvements with ResNet50-FPN, and sets a new state of the art. Code and models are available at https://github.com/CASIA-IVA-Lab/ACSL.

Ronilo Ragodos, Tong Wang, Lu Feng et al.

Machine learning models have been increasingly used in business research. However, most state-of-the-art machine learning models, such as deep neural networks and XGBoost, are black boxes in nature. Therefore, post hoc explainers that provide explanations for machine learning models by, for example, estimating numerical importance of the input features, have been gaining wide usage. Despite the intended use of post hoc explainers being explaining machine learning models, we found a growing trend in business research where post hoc explanations are used to draw inferences about the data. In this work, we investigate the validity of such use. Specifically, we investigate with extensive experiments whether the explanations obtained by the two most popular post hoc explainers, SHAP and LIME, provide correct information about the true marginal effects of X on Y in the data, which we call data-alignment. We then identify what factors influence the alignment of explanations. Finally, we propose a set of mitigation strategies to improve the data-alignment of explanations and demonstrate their effectiveness with real-world data in an econometric context. In spite of this effort, we nevertheless conclude that it is often not appropriate to infer data insights from post hoc explanations. We articulate appropriate alternative uses, the most important of which is to facilitate the proposition and subsequent empirical investigation of hypotheses. The ultimate goal of this paper is to caution business researchers against translating post hoc explanations of machine learning models into potentially false insights and understanding of data.

Tong Wang, Chi Jin, Yongkang Chen et al.

Table Question Answering (TableQA) enables natural language interaction with structured tabular data. However, existing large language model (LLM) approaches face critical limitations: context length constraints that restrict data handling capabilities, hallucination issues that compromise answer reliability, and single-agent architectures that struggle with complex reasoning scenarios involving semantic relationships and multi-hop logic. This paper introduces DataFactory, a multi-agent framework that addresses these limitations through specialized team coordination and automated knowledge transformation. The framework comprises a Data Leader employing the ReAct paradigm for reasoning orchestration, together with dedicated Database and Knowledge Graph teams, enabling the systematic decomposition of complex queries into structured and relational reasoning tasks. We formalize automated data-to-knowledge graph transformation via the mapping function T:D x S x R -> G, and implement natural language-based consultation that - unlike fixed workflow multi-agent systems - enables flexible inter-agent deliberation and adaptive planning to improve coordination robustness. We also apply context engineering strategies that integrate historical patterns and domain knowledge to reduce hallucinations and improve query accuracy. Across TabFact, WikiTableQuestions, and FeTaQA, using eight LLMs from five providers, results show consistent gains. Our approach improves accuracy by 20.2% (TabFact) and 23.9% (WikiTQ) over baselines, with significant effects (Cohen's d > 1). Team coordination also outperforms single-team variants (+5.5% TabFact, +14.4% WikiTQ, +17.1% FeTaQA ROUGE-2). The framework offers design guidelines for multi-agent collaboration and a practical platform for enterprise data analysis through integrated structured querying and graph-based knowledge representation.

Ran Tong, Tong Wang, Lanruo Wang et al.

Medium-horizon Alzheimer's disease progression prediction is difficult because future clinical scores can remain tied to baseline severity, while biomarker histories are irregular and incompletely observed. We develop an anchor-based analysis of 24-month Clinical Dementia Rating Sum of Boxes (CDR-SB) change using harmonized Alzheimer's Disease Neuroimaging Initiative (ADNI) tables. Each labeled sample is anchored at a mild cognitive impairment visit, uses only clinical and biomarker history observed at or before that anchor, and defines the response as CDR-SB at the future visit closest to 24 months within an 18--30 month window minus anchor CDR-SB. The analytic cohort contains 2,600 labeled anchors from 858 participants and 7,276 longitudinal rows. We propose a residual gap-aware transformer that combines a mixed-effects statistical reference with transformer-based residual learning from pre-anchor clinical and biomarker histories. The model uses participant-level random intercepts in the mixed-effects reference, observation-level triplet tokenization for irregular histories, and a learned nonnegative time-gap penalty inside self-attention. We compare the proposed model with a Bayesian-information-criterion-selected linear mixed-effects baseline, GRU-D, and STraTS under repeated participant-level train--test splits. Across five participant-level random seeds, the proposed model achieves the best mean test performance across all reported metrics, reducing MSE by 13.1% and increasing prediction--observation correlation by 26.4% relative to the mixed-effects baseline. It also improves over both GRU-D and STraTS in mean error and correlation. These results show that statistical anchoring and gap-aware residual learning provide a useful structure for medium-horizon Alzheimer's disease progression prediction.