#01Aug 19, 2026
cs.LG
PGFS++: Molecular Property Improvement under Synthesis and Diversity Constraints
Boqiao Zhang, Godbless James, Sai Krishna Gottipati and 1 more
Improving molecular properties, such as drug-likeness or binding affinity, is a recurring task in early-stage drug discovery. However, molecules optimized in an unconstrained chemical space have limited practical value if they cannot be synthesized. Policy Gradient for Forward Synthesis (PGFS) is a synthesis-aware reinforcement learning method for molecular improvement, but its use of reactant embedding prediction makes reactant selection indirect, which, as we show, limits learning effectiveness. We first develop PGFS+, in which reaction templates and second reactants are represented by trainable embedding lookup tables. Combined with a more effective scoring function and RL algorithm, PGFS+ significantly improves the desired property. However, it exposes a reward-hacking failure mode: a powerful reactant search can map diverse input molecules to the same high-reward magnet molecule, improving the reward while collapsing the output diversity. We therefore introduce PGFS++, a synthesis-aware reinforcement learning framework for input-specific molecular improvement. Given an input molecule, PGFS++ treats it as the start of a forward-synthesis trajectory, applies learned reaction templates with compatible in-stock building blocks, and produces a molecule with improved target properties, an explicit synthesis route, and structural similarity to the input. Experiments on molecular improvement tasks show that PGFS++ improves target properties while preserving high output diversity.
#02Aug 19, 2026
cs.CL
SPADE: Self-Play in Adaptive Synthetic Executable Environments
Bo Liu, Simon Yu, Yiding Jiang and 15 more
Continuous self-improvement requires an ever-expanding pool of self-generated, diverse, adaptive goals. For language agents, existing training environment pools (hand-curated, statically synthesized, or frozen-verifier) keep the goal distribution fixed as the learner scales. We introduce SPADE (Self-Play in Adaptive Synthetic Executable Environments), a self-play RL framework in which a single LLM plays two roles: an Environment Designer that writes complete, long-horizon training environments as executable code with an OpenAI Gym-style reset()/step() interface, and a Reasoning Agent that learns to act in them. Each is a stateful, multi-turn environment (state transitions, reward functions, and verification code), so one interface spans reasoning problems and multi-step agentic tool use. The Reasoning Agent's regret is estimated using the gap between its reward with and without privileged hints; in optimizing this regret signal the Environment Designer learns to target environments at the edge of the agent's capabilities while keeping them feasible. Through extensive experimentation, we find several components critical to success: grounding the Environment Designer on documents sampled from a large pretraining corpus, and giving it an accumulated environment memory. Scaling to 30B-parameter models, SPADE improves over the strongest fixed-environment baseline by +5.3 on average across eight held-out math, science, code, and reasoning benchmarks, and lifts the tool-use setting by +5.7 on BFCL-v4 multi-turn and +13.9 on ACEBench-Agent; on the games setting, the margin over the strongest baseline grows with model scale. By making environment design itself a learnable component, SPADE takes a concrete step toward open-ended self-improvement.
#03Aug 19, 2026
cs.CV
Image-Guided Pavement Defect Recognition in GPR Data with novel 3D Deep Learning Architecture
Yuandong Pan, Linjun Lu, Mudan Wang and 6 more
Ground Penetrating Radar (GPR) is a widely adopted non-destructive sensing technology for subsurface inspection in civil and transportation engineering. Despite its potential for pavement condition assessment, the large-scale application of GPR in automated inspection has two key challenges: the scarcity of annotated real-world datasets and the lack of deep learning models designed for the unique characteristics of 3-Dimensional (3D) GPR data. This study addresses these limitations by firstly introducing a cost-effective data preparation pipeline that integrates orthomosaic Red Green Blue (RGB) imagery with 3D GPR scans to generate annotated 3D GPR datasets. The proposed method uses the aligned segments of RGB and GPR data, using pavement surface images as a reference to transfer labels of surface-visible defects to corresponding GPR segments, enabling efficient large-scale annotation in a real-world dataset collected on a highway section under operation. In addition to the dataset contribution, we propose a specialised 3D Convolutional Neural Network (CNN) architecture incorporating residual connections, mixed convolutional kernel sizes, and both depthwise and channelwise attention mechanisms to enhance feature representation and defect classification. The model is evaluated on binary classification tasks for detecting patch and crack defects in pavement structures. Experimental results demonstrate that the proposed network outperforms baseline architectures across multiple evaluation metrics. Ablation studies further confirm the effectiveness of the designed architectural components. This work contributes a scalable and practical method for real-world dataset generation, along with a novel deep learning framework.
#04Aug 19, 2026
cs.CV
Detecting Backdoors in Object Detection via Pre-NMS Prediction Distribution Shift
Longtian Wang, Zhengyu Zhao, Chenhao Lin and 5 more
Object detection models deployed in safety-critical applications remain vulnerable to backdoor attacks that cause targeted misbehaviors when a hidden trigger is present. Existing detection methods either rely on trigger inversion or exploit architecture-specific assumptions, and critically, representative existing methods fail to generalize reliably to scene-level attacks, where a single trigger induces anomalous behavior across all objects in the scene simultaneously. We present DistScan, a backdoor detection framework based on a simple but previously unexploited observation: backdoor injection systematically shifts a model's pre-NMS prediction class distribution away from its training class frequencies, even on clean inputs without any trigger present. DistScan aggregates intermediate class predictions over a clean validation set and flags a model as backdoored if the resulting distribution deviates significantly from the training class frequencies, requiring no model weight access, no trigger knowledge, and no additional training. Extensive experiments on MS-COCO and PASCAL VOC across two architectures and three scene-level attack scenarios demonstrate that DistScan substantially outperforms existing methods, improving average detection accuracy over the best-performing applicable baseline by 27.32 percentage points.
#05Aug 19, 2026
cs.AI
Beyond the Transcript: Detecting Covert Co ordination in Latent Multi-Agent Communication
Ramneet Kaur, Pradyumna Chari, Ramesh Raskar and 3 more
Language-model agents can communicate through continuous hidden states that are invisible in public transcripts, creating opportunities for covert harmful coordination. We introduce Verifiable Latent Alignments (VLA), an activation-aware framework for monitoring and steering these private communication channels. For every monitored decision, VLA links the private latent-state record and channel status to the resulting public action using a shared event identifier, enabling matched causal analysis. Our first contribution is a neutral-only three-layer monitor combining representation anomaly detection, counterfactual action-distribution influence, and sparse-autoencoder interpretation support. Our second contribution is a steerability framework spanning black-box behavioral instructions and white-box matched-neutral counterfactuals. Our third contribution is an evaluation on a controlled multi-agent auction benchmark covering homogeneous and heterogeneous model pairs, many-agent scalability, and intervention effectiveness. The sequential monitor achieves mean area under the receiver operating characteristic curve (AUROC) of 0.993 for homogeneous agents and 0.854 for heterogeneous pairs when text- and latent-collusion rows are pooled as positives. In Qwen3-0.6B auctions with 25-100 bidders, monitoring requires only a small normalized load relative to all possible directed pairs, while full white-box steering achieves 100% bid-distribution recovery and reduces collusive low-bid behavior by 47.3 percentage points. Because full white-box steering replays the matched neutral counterfactual, its exact recovery is a sanity check by construction. Overall, the controlled study shows that the evaluated private channel attacks can be monitored without training the primary monitor on attack examples and mitigated when matched counterfactual access is available.