Macquarie University, Australia
Abstract:Accurate prediction of drug-target interactions (DTI) is critical for drug discovery. Existing methods often rely on single-modal representations (e.g., sequences or graphs) or combine only two modalities, overlooking 3D structural features. To address this challenge, we propose TriMod-DTI, a triple-modal contrastive learning framework that incorporates 1D sequences, 2D graphs, and 3D structures of drugs and proteins, obtaining the universal and complementary feature representations for DTI prediction. We design a Feature Extractor to capture drug and target features across the three modalities, thereby enriching their representations. We further propose a triple-modal contrastive learning strategy to align different modal representations of the same drug or protein in the latent space. By constructing cross-modal positive and negative sample pairs, this approach enhances the model's discriminative ability. Experiments on three benchmark datasets demonstrate that TriMod-DTI outperforms state-of-the-art methods. The ablation studies validate the contributions of each modality. Moreover, case studies highlight its practical potential for DTI prediction and drug discovery.
Abstract:Mobile GUI agents excel at immediate reactive control but frequently fail in realistic, long-horizon tasks that require memory. This failure stems from a fundamental conflict between limited context windows and token-heavy screenshots. To save the limited context, agents must progressively discard older visual history, permanently losing crucial transient information. Furthermore, existing action-centric datasets fail to teach agents what or when to explicitly memorize, and augmenting static real-world data is prohibitively expensive and lacks interactive verification. To resolve this, we present STAMP, a framework that trains explicit memory in mobile agents through controllable virtual environments, where deterministic memory variables are programmatically injected into synthesized tasks to control what must be memorized, when it should be encoded, and when it must later be retrieved, thereby producing verifiable supervised data at scale and enabling online reinforcement learning through environment-driven reward feedback. Evaluated on our newly introduced Memory-World benchmark, the resulting Stamp-GUI agent achieves state-of-the-art performance among GUI-specialized models and sets a new high watermark on our Memory-World benchmark, demonstrating exceptional memory accuracy and task resilience while maintaining strong general mobile navigation capabilities.
Abstract:Radiology report generation (RRG) is commonly formulated as a single-path generation task, where a multimodal large language model (MLLM) produces one decoded report as the final output. While recent progress has largely been driven by scaling training data, model capacity, and retrieval mechanisms, improving report quality at inference time remains underexplored. In this work, we observe that fixed radiology MLLMs often generate clinically stronger reports elsewhere in their candidate pool than the one selected by default decoding, suggesting that inference-time decision making remains an overlooked bottleneck. To address this, we propose Clinical Consensus Selection (CCS), a decoder-agnostic inference-time selection framework that samples multiple candidate reports and selects the one with the highest clinical consensus across the rollout pool. CCS unifies text-based utilities with a radiology-adapted utility computed by an image--report-trained multimodal embedder, which measures candidate agreement beyond surface-level textual similarity. Across three datasets and multiple radiology MLLMs, CCS consistently improves inference-time performance over single-path decoding and generic Best-of-N baselines, with particularly clear gains on clinical metrics. Further analysis shows that image-grounded utility forms a selection axis distinct from textual consensus and that substantial headroom remains for improving RRG at inference time.
Abstract:The proliferation of social media platforms and online communities has inadvertently catalyzed the spread of cyberbullying, hate speech, and other forms of online toxicity, making the effective governance of such harm a critical societal and computational challenge. While significant strides have been made in automating content moderation, existing research predominantly treats cyberbullying governance as passive, isolated detection at the post level. This reductionist view overlooks the continuous behavioral dynamics of users, the structural diffusion of toxic events, and the critical need for proactive mitigation. To bridge these gaps, this paper proposes a unified full-lifecycle governance framework that shifts the paradigm of cyberbullying governance from isolated static detection toward integrated, continuous, and proactive moderation. Drawing on cyberbullying research and adjacent fields, we systematically synthesize the state-of-the-art literature across four interconnected stages: (1) Content Identification, (2) User and Behavior Modeling, (3) Diffusion Dynamics and Early Warning, and (4) Intervention and Governance. Furthermore, we review available datasets and evaluation practices, and discuss emerging challenges including multimodality, explainability, algorithmic fairness, and the dual-use risks of generative AI, providing a roadmap for future research toward a safer and more resilient digital ecosystem.
Abstract:Large Language Model (LLM) agents increasingly act inside real workspaces, where tools and skills determine whether model reasoning becomes reliable action. Existing skills remain largely informal: Markdown skills and instruction packs encode procedures as long natural-language documents, while function calling, Model Context Protocol (MCP) servers, and framework tools structure individual actions but usually leave workflow state, policy enforcement, and completion discipline outside the skill itself. We introduce Formal Skill, a runtime-native abstraction that represents reusable capability with JSON metadata and action schemas, reliable Python executors, hook-governed control logic, Formal Skill routing, and skill-local runtime state. By moving reusable procedure from repeated prompt text into executable state machines and hook policies, Formal Skill gives agents a token-efficient and enforceable control surface. We implement the abstraction in FairyClaw, an open-source event-driven runtime for executable, observable, and composable Formal Skills. On Harness-Bench, FairyClaw obtains highly competitive average scores while using substantially fewer tokens, with especially strong results on tasks that expose the role of Formal Skill.
Abstract:Computer Use Agents (CUAs) can act through both atomic GUI actions, such as click and type, and high-level tool calls, such as API-based file operations, but this hybrid action space often leaves them uncertain about when to continue with GUI actions or switch to tools, leading to suboptimal execution paths. This difficulty stems from the scarcity of high-quality interleaved GUI-Tool trajectories, the cost and brittleness of collecting real tool trajectories, and the lack of trajectory-level supervision for GUI-Tool path selection. In this paper, we propose ToolCUA, an end-to-end agent designed to learn optimal GUI-Tool path selection through a staged training paradigm. We first introduce an Interleaved GUI-Tool Trajectory Scaling Pipeline that repurposes abundant static GUI trajectories and synthesizes a grounded tool library, enabling diverse GUI-Tool trajectories without manual engineering or real tool-trajectory collection. We then perform Tool-Bootstrapped GUI RFT, combining warmup SFT with single-turn RL to improve decisions at critical GUI-Tool switching points. Finally, we optimize ToolCUA with Online Agentic RL in a high-fidelity GUI-Tool environment, guided by a Tool-Efficient Path Reward that encourages appropriate tool use and shorter execution paths. Experiments on OSWorld-MCP show that ToolCUA achieves 46.85% accuracy, a relative improvement of approximately 66% over the baseline, establishing a new state of the art among models of comparable scale. It also improves by 3.9% over GUI-only settings, demonstrating effective GUI-Tool orchestration. The results further suggest that training in a hybrid action space is a promising paradigm for real-world digital agents. Open-sourced here: https://x-plug.github.io/ToolCUA/
Abstract:The widespread use of earphones has enabled various sensing applications, including activity recognition, health monitoring, and context-aware computing. Among these, earphone-based user authentication has become a key technique by leveraging unique biometric features. However, existing earphone-based authentication systems face key limitations: they either require explicit user interaction or active speaker output, or suffer from poor accessibility and vulnerability to environmental noise, which hinders large-scale deployment. In this paper, we propose a passive authentication system, called AccLock, which leverages distinctive features extracted from in-ear BCG signals to enable secure and unobtrusive user verification. Our system offers several advantages over previous systems, including zero-involvement for both the device and the user, ubiquitous, and resilient to environmental noise. To realize this, we first design a two-stage denoising scheme to suppress both inherent and sporadic interference. To extract user-specific features, we then propose a disentanglement-based deep learning model, HIDNet, which explicitly separates user-specific features from shared nuisance components. Lastly, we develop a scalable authentication framework based on a Siamese network that eliminates the need for per-user classifier training. We conduct extensive experiments with 33 participants, achieving an average FAR of 3.13% and FRR of 2.99%, which demonstrates the practical feasibility of AccLock.
Abstract:The inherent electronic and speckle noise complicates clinical interpretation of ultrasound images. Conventional denoising methods rely on explicit noise assumptions whose validity diminishes under composite noise conditions. Learning-based methods require massive labeled data and model parameters. These pre-defined and pre-trained manners entail an inevitable domain shift in complex in vivo environments, so they are limited to a specific noise type and often blur structural details. In this study, we propose a pure test-time training framework for one-shot ultrasound image denoising and apply it to synthetic aperture ultrasound (SAU), which synthesizes transmit focus from sub-aperture transmissions. Our Aperture-to-Aperture (A2A) framework disentangles anatomical similarity and noise randomness from shuffled sub-apertures through self-contrastive learning in pyramid latent spaces. The clean image is then decoded from the anatomy space, while discarding the noise space. A2A is trained at test time on one noisy sample of SAU signals, so it fundamentally eliminates the domain shift and pretraining costs. Simulation experiments, including electronic noise levels of 0 to 30 dB and different inclusion geometries, demonstrated an improvement of 69.3% SNR and 34.4% CNR by A2A. The in vivo results showed 84.8% SNR and 25.7% CNR gains using only two aperture data of the heart in six echocardiographic views, liver, and kidney. A2A delivers clear images/signals across diverse imaging targets and configurations, paving the way for more reliable anatomical visualization and functional assessment by ultrasound.
Abstract:Nighttime photography is severely degraded by light pollution induced by pervasive artificial lighting in urban environments. After long-range scattering and spatial diffusion, unwanted artificial light overwhelms natural night luminance, generates skyglow that washes out the view of stars and celestial objects and produces halos and glow artifacts around light sources. Unlike nighttime dehazing, which aims to improve detail legibility through thick air, the objective of light pollution removal is to restore the pristine night appearance by neutralizing the radiative footprint of ground lighting. In this paper we introduce a physically-based degradation model that adds to the previous ones for nighttime dehazing two critical aspects; (i) anisotropic spread of directional light sources, and (ii) skyglow caused by invisible surface lights behind skylines. In addition, we construct a training strategy that leverages large generative model and synthetic-real coupling to compensate for the scarcity of paired real data and enhance generalization. Extensive experiments demonstrate that the proposed formulation and learning framework substantially reduce light pollution artifacts and better recover authentic night imagery than prior nighttime restoration methods.
Abstract:Evolution is an extraordinary engine for enzymatic diversity, yet the chemistry it has explored remains a narrow slice of what DNA can encode. Deep generative models can design new proteins that bind ligands, but none have created enzymes without pre-specifying catalytic residues. We introduce DISCO (DIffusion for Sequence-structure CO-design), a multimodal model that co-designs protein sequence and 3D structure around arbitrary biomolecules, as well as inference-time scaling methods that optimize objectives across both modalities. Conditioned solely on reactive intermediates, DISCO designs diverse heme enzymes with novel active-site geometries. These enzymes catalyze new-to-nature carbene-transfer reactions, including alkene cyclopropanation, spirocyclopropanation, B-H, and C(sp$^3$)-H insertions, with high activities exceeding those of engineered enzymes. Random mutagenesis of a selected design further confirmed that enzyme activity can be improved through directed evolution. By providing a scalable route to evolvable enzymes, DISCO broadens the potential scope of genetically encodable transformations. Code is available at https://github.com/DISCO-design/DISCO.