Daily Papers

Structure-Based Drug Design (SBDD) is crucial for identifying bioactive molecules. Recent deep generative models are faced with challenges in geometric structure modeling. A major bottleneck lies in the twisted probability path of multi-modalities -- continuous 3D positions and discrete 2D topologies -- which jointly determine molecular geometries. By establishing the fact that noise schedules decide the Variational Lower Bound (VLB) for the twisted probability path, we propose VLB-Optimal Scheduling (VOS) strategy in this under-explored area, which optimizes VLB as a path integral for SBDD. Our model effectively enhances molecular geometries and interaction modeling, achieving state-of-the-art PoseBusters passing rate of 95.9% on CrossDock, more than 10% improvement upon strong baselines, while maintaining high affinities and robust intramolecular validity evaluated on held-out test set. Code is available at https://github.com/AlgoMole/MolCRAFT.

Human pose and shape (HPS) estimation methods achieve remarkable results. However, current HPS benchmarks are mostly designed to test models in scenarios that are similar to the training data. This can lead to critical situations in real-world applications when the observed data differs significantly from the training data and hence is out-of-distribution (OOD). It is therefore important to test and improve the OOD robustness of HPS methods. To address this fundamental problem, we develop a simulator that can be controlled in a fine-grained manner using interpretable parameters to explore the manifold of images of human pose, e.g. by varying poses, shapes, and clothes. We introduce a learning-based testing method, termed PoseExaminer, that automatically diagnoses HPS algorithms by searching over the parameter space of human pose images to find the failure modes. Our strategy for exploring this high-dimensional parameter space is a multi-agent reinforcement learning system, in which the agents collaborate to explore different parts of the parameter space. We show that our PoseExaminer discovers a variety of limitations in current state-of-the-art models that are relevant in real-world scenarios but are missed by current benchmarks. For example, it finds large regions of realistic human poses that are not predicted correctly, as well as reduced performance for humans with skinny and corpulent body shapes. In addition, we show that fine-tuning HPS methods by exploiting the failure modes found by PoseExaminer improve their robustness and even their performance on standard benchmarks by a significant margin. The code are available for research purposes.

Evaluation of software engineering (SWE) agents is dominated by a binary signal: whether the final patch passes the tests. This outcome-only view treats a principled solution and a chaotic trial-and-error process as equivalent. We show that this equivalence is empirically false. We evaluate 2,614 OpenHands trajectories from eight model backends on 60 SWE-bench Verified tasks. Of these, 47 have enough passing trajectories to construct task-level process references, yielding a 1,815-trajectory evaluation subset. Among passing trajectories in this subset, 10.7% exhibit behavior we call a Lucky Pass: regression cycles, blind retries, missing verification, or temporally disordered exploration, implementation, and verification. We introduce AgentLens, a framework for process-level assessment of SWE-agent trajectories, and release AgentLens-Bench, a dataset of 1,815 trajectories annotated with quality scores, waste signals, divergence points, and 47 task-level Prefix Tree Acceptor (PTA) references. AgentLens builds PTA references by merging multiple passing solutions for the same task, and uses a context-sensitive intent labeler to assign actions to Exploration, Implementation, Verification, or Orchestration based on trajectory history rather than tool identity alone. On AgentLens-Bench, the quality score separates passing trajectories into Lucky, Solid, and Ideal tiers and further decomposes Lucky Passes into five recurring mechanisms. Across the eight model backends, Lucky rates range from 0.5% to 23.2%, and some models move by as many as five rank positions when ranked by quality score instead of pass rate. We release the anonymized project repository, including the AgentLens-Bench dataset and AgentLens SDK, at https://github.com/microsoft/code-agent-state-trajectories/.

In the last two years, text-to-image diffusion models have become extremely popular. As their quality and usage increase, a major concern has been the need for better output control. In addition to prompt engineering, one effective method to improve the controllability of diffusion models has been to condition them on additional modalities such as image style, depth map, or keypoints. This forms the basis of ControlNets or Adapters. When attempting to apply these methods to control human poses in outputs of text-to-image diffusion models, two main challenges have arisen. The first challenge is generating poses following a wide range of semantic text descriptions, for which previous methods involved searching for a pose within a dataset of (caption, pose) pairs. The second challenge is conditioning image generation on a specified pose while keeping both high aesthetic and high pose fidelity. In this article, we fix these two main issues by introducing a text-to-pose (T2P) generative model alongside a new sampling algorithm, and a new pose adapter that incorporates more pose keypoints for higher pose fidelity. Together, these two new state-of-the-art models enable, for the first time, a generative text-to-pose-to-image framework for higher pose control in diffusion models. We release all models and the code used for the experiments at https://github.com/clement-bonnet/text-to-pose.

Computer vision has long relied on ImageNet and other large datasets of images sampled from the Internet for pretraining models. However, these datasets have ethical and technical shortcomings, such as containing personal information taken without consent, unclear license usage, biases, and, in some cases, even problematic image content. On the other hand, state-of-the-art pretraining is nowadays obtained with unsupervised methods, meaning that labelled datasets such as ImageNet may not be necessary, or perhaps not even optimal, for model pretraining. We thus propose an unlabelled dataset PASS: Pictures without humAns for Self-Supervision. PASS only contains images with CC-BY license and complete attribution metadata, addressing the copyright issue. Most importantly, it contains no images of people at all, and also avoids other types of images that are problematic for data protection or ethics. We show that PASS can be used for pretraining with methods such as MoCo-v2, SwAV and DINO. In the transfer learning setting, it yields similar downstream performances to ImageNet pretraining even on tasks that involve humans, such as human pose estimation. PASS does not make existing datasets obsolete, as for instance it is insufficient for benchmarking. However, it shows that model pretraining is often possible while using safer data, and it also provides the basis for a more robust evaluation of pretraining methods.

Training accurate 3D human pose estimators requires large amount of 3D ground-truth data which is costly to collect. Various weakly or self supervised pose estimation methods have been proposed due to lack of 3D data. Nevertheless, these methods, in addition to 2D ground-truth poses, require either additional supervision in various forms (e.g. unpaired 3D ground truth data, a small subset of labels) or the camera parameters in multiview settings. To address these problems, we present EpipolarPose, a self-supervised learning method for 3D human pose estimation, which does not need any 3D ground-truth data or camera extrinsics. During training, EpipolarPose estimates 2D poses from multi-view images, and then, utilizes epipolar geometry to obtain a 3D pose and camera geometry which are subsequently used to train a 3D pose estimator. We demonstrate the effectiveness of our approach on standard benchmark datasets i.e. Human3.6M and MPI-INF-3DHP where we set the new state-of-the-art among weakly/self-supervised methods. Furthermore, we propose a new performance measure Pose Structure Score (PSS) which is a scale invariant, structure aware measure to evaluate the structural plausibility of a pose with respect to its ground truth. Code and pretrained models are available at https://github.com/mkocabas/EpipolarPose

Test data from public benchmarks inevitably leaks into pretraining corpora, inflating evaluation scores once memorized. Contamination mitigation evaluation intervenes in the decoding process to suppress memorization and restore a contaminated model's genuine capability, but its prevailing metric, the G-AP (Gap of Aggregate Performance), is flawed. Discrete correct/incorrect readouts cannot characterize per-question performance, averaging before differencing lets over- and under-suppression cancel out, and uniform per-question weighting invites strategies to push solve probabilities onto the clean model's high-frequency values. We propose SA-PPG (Stratified Aggregate of Per-question Probability Gaps): estimate each question's solve probability by sampling, difference it against the clean model per question, and aggregate within groups defined by the clean model's solve probability. Existing mitigation strategies first estimate where contamination lies and then operate on the estimate, so they are only as correct as the estimate. RailCap instead judges contamination during generation: whenever a sample falls back onto the greedy trajectory, the next trajectory token is capped to the runner-up, accumulating suppression until the response distribution becomes sufficiently dispersed. Across multiple contaminated models and benchmarks, SA-PPG reveals that prior strategies' restoration is substantially overestimated, while RailCap attains the lowest SA-PPG.

We consider the task of learning to estimate human pose in still images. In order to avoid the high cost of full supervision, we propose to use a diverse data set, which consists of two types of annotations: (i) a small number of images are labeled using the expensive ground-truth pose; and (ii) other images are labeled using the inexpensive action label. As action information helps narrow down the pose of a human, we argue that this approach can help reduce the cost of training without significantly affecting the accuracy. To demonstrate this we design a probabilistic framework that employs two distributions: (i) a conditional distribution to model the uncertainty over the human pose given the image and the action; and (ii) a prediction distribution, which provides the pose of an image without using any action information. We jointly estimate the parameters of the two aforementioned distributions by minimizing their dissimilarity coefficient, as measured by a task-specific loss function. During both training and testing, we only require an efficient sampling strategy for both the aforementioned distributions. This allows us to use deep probabilistic networks that are capable of providing accurate pose estimates for previously unseen images. Using the MPII data set, we show that our approach outperforms baseline methods that either do not use the diverse annotations or rely on pointwise estimates of the pose.

We present the evaluation methodology, datasets and results of the BOP Challenge 2022, the fourth in a series of public competitions organized with the goal to capture the status quo in the field of 6D object pose estimation from an RGB/RGB-D image. In 2022, we witnessed another significant improvement in the pose estimation accuracy -- the state of the art, which was 56.9 AR_C in 2019 (Vidal et al.) and 69.8 AR_C in 2020 (CosyPose), moved to new heights of 83.7 AR_C (GDRNPP). Out of 49 pose estimation methods evaluated since 2019, the top 18 are from 2022. Methods based on point pair features, which were introduced in 2010 and achieved competitive results even in 2020, are now clearly outperformed by deep learning methods. The synthetic-to-real domain gap was again significantly reduced, with 82.7 AR_C achieved by GDRNPP trained only on synthetic images from BlenderProc. The fastest variant of GDRNPP reached 80.5 AR_C with an average time per image of 0.23s. Since most of the recent methods for 6D object pose estimation begin by detecting/segmenting objects, we also started evaluating 2D object detection and segmentation performance based on the COCO metrics. Compared to the Mask R-CNN results from CosyPose in 2020, detection improved from 60.3 to 77.3 AP_C and segmentation from 40.5 to 58.7 AP_C. The online evaluation system stays open and is available at: http://bop.felk.cvut.cz/{bop.felk.cvut.cz}.

The goal of this paper is to advance the state-of-the-art of articulated pose estimation in scenes with multiple people. To that end we contribute on three fronts. We propose (1) improved body part detectors that generate effective bottom-up proposals for body parts; (2) novel image-conditioned pairwise terms that allow to assemble the proposals into a variable number of consistent body part configurations; and (3) an incremental optimization strategy that explores the search space more efficiently thus leading both to better performance and significant speed-up factors. Evaluation is done on two single-person and two multi-person pose estimation benchmarks. The proposed approach significantly outperforms best known multi-person pose estimation results while demonstrating competitive performance on the task of single person pose estimation. Models and code available at http://pose.mpi-inf.mpg.de