We seek to extract a temporally consistent 6D pose trajectory of a manipulated object from an Internet instructional video. This is a challenging set-up for current 6D pose estimation methods due to uncontrolled capturing conditions, subtle but dynamic object motions, and the fact that the exact mesh of the manipulated object is not known. To address these challenges, we present the following contributions. First, we develop a new method that estimates the 6D pose of any object in the input image without prior knowledge of the object itself. The method proceeds by (i) retrieving a CAD model similar to the depicted object from a large-scale model database, (ii) 6D aligning the retrieved CAD model with the input image, and (iii) grounding the absolute scale of the object with respect to the scene. Second, we extract smooth 6D object trajectories from Internet videos by carefully tracking the detected objects across video frames. The extracted object trajectories are then retargeted via trajectory optimization into the configuration space of a robotic manipulator. Third, we thoroughly evaluate and ablate our 6D pose estimation method on YCB-V and HOPE-Video datasets as well as a new dataset of instructional videos manually annotated with approximate 6D object trajectories. We demonstrate significant improvements over existing state-of-the-art RGB 6D pose estimation methods. Finally, we show that the 6D object motion estimated from Internet videos can be transferred to a 7-axis robotic manipulator both in a virtual simulator as well as in a real world set-up. We also successfully apply our method to egocentric videos taken from the EPIC-KITCHENS dataset, demonstrating potential for Embodied AI applications.

Data scarcity and distribution shifts often hinder the ability of machine learning models to generalize when applied to proteins and other biological data. Self-supervised pre-training on large datasets is a common method to enhance generalization. However, striving to perform well on all possible proteins can limit model's capacity to excel on any specific one, even though practitioners are often most interested in accurate predictions for the individual protein they study. To address this limitation, we propose an orthogonal approach to achieve generalization. Building on the prevalence of self-supervised pre-training, we introduce a method for self-supervised fine-tuning at test time, allowing models to adapt to the test protein of interest on the fly and without requiring any additional data. We study our test-time training (TTT) method through the lens of perplexity minimization and show that it consistently enhances generalization across different models, their scales, and datasets. Notably, our method leads to new state-of-the-art results on the standard benchmark for protein fitness prediction, improves protein structure prediction for challenging targets, and enhances function prediction accuracy.

The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is the leading technique for high-throughput elucidation of molecular structures. However, decoding a molecular structure from its mass spectrum is exceptionally challenging, even when performed by human experts. As a result, the vast majority of acquired MS/MS spectra remain uninterpreted, thereby limiting our understanding of the underlying (bio)chemical processes. Despite decades of progress in machine learning applications for predicting molecular structures from MS/MS spectra, the development of new methods is severely hindered by the lack of standard datasets and evaluation protocols. To address this problem, we propose MassSpecGym -- the first comprehensive benchmark for the discovery and identification of molecules from MS/MS data. Our benchmark comprises the largest publicly available collection of high-quality labeled MS/MS spectra and defines three MS/MS annotation challenges: \textit{de novo} molecular structure generation, molecule retrieval, and spectrum simulation. It includes new evaluation metrics and a generalization-demanding data split, therefore standardizing the MS/MS annotation tasks and rendering the problem accessible to the broad machine learning community. MassSpecGym is publicly available at \url{https://github.com/pluskal-lab/MassSpecGym}.

In recent years, there has been remarkable progress in machine learning for protein-protein interactions. However, prior work has predominantly focused on improving learning algorithms, with less attention paid to evaluation strategies and data preparation. Here, we demonstrate that further development of machine learning methods may be hindered by the quality of existing train-test splits. Specifically, we find that commonly used splitting strategies for protein complexes, based on protein sequence or metadata similarity, introduce major data leakage. This may result in overoptimistic evaluation of generalization, as well as unfair benchmarking of the models, biased towards assessing their overfitting capacity rather than practical utility. To overcome the data leakage, we recommend constructing data splits based on 3D structural similarity of protein-protein interfaces and suggest corresponding algorithms. We believe that addressing the data leakage problem is critical for further progress in this research area. The vast majority of protein-protein interactions remain undiscovered.

Discovering mutations enhancing protein-protein interactions (PPIs) is critical for advancing biomedical research and developing improved therapeutics. While machine learning approaches have substantially advanced the field, they often struggle to generalize beyond training data in practical scenarios. The contributions of this work are three-fold. First, we construct PPIRef, the largest and non-redundant dataset of 3D protein-protein interactions, enabling effective large-scale learning. We finetune PPIformer to predict effects of mutations on protein-protein interactions via a thermodynamically motivated adjustment of the pre-training loss function. Finally, we demonstrate the enhanced generalization of our new PPIformer approach by outperforming other state-of-the-art methods on new, non-leaking splits of standard labeled PPI mutational data and independent case studies optimizing a human antibody against SARS-CoV-2 and increasing the thrombolytic activity of staphylokinase. The goal of this work is to develop a reliable method for designing protein-protein interactions (PPIs). We focus on predicting binding affinity changes of protein complexes upon mutations. This problem, also referred to as G prediction, is the central challenge of protein binder design (Marchand et al., 2022). The discovery of mutations increasing binding affinity unlocks application areas of tremendous importance, most notably in healthcare and biotechnology. Interactions between proteins play a crucial role in mechanisms of various diseases including cancer and neurodegenerative diseases (Lu et al., 2020; Ivanov et al., 2013). Simultaneously, they offer potential pathways for the action of protein-based therapeutics in addressing other medical conditions, such as stroke, which stands as a leading cause of disability and mortality worldwide (Feigin et al., 2022; Nikitin et al., 2022).

The objective of this work is to enable manipulation tasks with respect to the 6D pose of a dynamically moving object using a camera mounted on a robot. Examples include maintaining a constant relative 6D pose of the robot arm with respect to the object, grasping the dynamically moving object, or co-manipulating the object together with a human. Fast and accurate 6D pose estimation is crucial to achieve smooth and stable robot control in such situations. The contributions of this work are three fold. First, we propose a new visual perception module that asynchronously combines accurate learning-based 6D object pose localizer and a high-rate model-based 6D pose tracker. The outcome is a low-latency accurate and temporally consistent 6D object pose estimation from the input video stream at up to 120 Hz. Second, we develop a visually guided robot arm controller that combines the new visual perception module with a torque-based model predictive control algorithm. Asynchronous combination of the visual and robot proprioception signals at their corresponding frequencies results in stable and robust 6D object pose guided robot arm control. Third, we experimentally validate the proposed approach on a challenging 6D pose estimation benchmark and demonstrate 6D object pose-guided control with dynamically moving objects on a real 7 DoF Franka Emika Panda robot.

Segmenting long videos into chapters enables users to quickly navigate to the information of their interest. This important topic has been understudied due to the lack of publicly released datasets. To address this issue, we present VidChapters-7M, a dataset of 817K user-chaptered videos including 7M chapters in total. VidChapters-7M is automatically created from videos online in a scalable manner by scraping user-annotated chapters and hence without any additional manual annotation. We introduce the following three tasks based on this data. First, the video chapter generation task consists of temporally segmenting the video and generating a chapter title for each segment. To further dissect the problem, we also define two variants of this task: video chapter generation given ground-truth boundaries, which requires generating a chapter title given an annotated video segment, and video chapter grounding, which requires temporally localizing a chapter given its annotated title. We benchmark both simple baselines and state-of-the-art video-language models for these three tasks. We also show that pretraining on VidChapters-7M transfers well to dense video captioning tasks in both zero-shot and finetuning settings, largely improving the state of the art on the YouCook2 and ViTT benchmarks. Finally, our experiments reveal that downstream performance scales well with the size of the pretraining dataset. Our dataset, code, and models are publicly available at https://antoyang.github.io/vidchapters.html.

Large-scale vision-language models (VLM) have shown impressive results for language-guided search applications. While these models allow category-level queries, they currently struggle with personalized searches for moments in a video where a specific object instance such as ``My dog Biscuit'' appears. We present the following three contributions to address this problem. First, we describe a method to meta-personalize a pre-trained VLM, i.e., learning how to learn to personalize a VLM at test time to search in video. Our method extends the VLM's token vocabulary by learning novel word embeddings specific to each instance. To capture only instance-specific features, we represent each instance embedding as a combination of shared and learned global category features. Second, we propose to learn such personalization without explicit human supervision. Our approach automatically identifies moments of named visual instances in video using transcripts and vision-language similarity in the VLM's embedding space. Finally, we introduce This-Is-My, a personal video instance retrieval benchmark. We evaluate our approach on This-Is-My and DeepFashion2 and show that we obtain a 15% relative improvement over the state of the art on the latter dataset.

This paper introduces a dataset for training and evaluating methods for 6D pose estimation of hand-held tools in task demonstrations captured by a standard RGB camera. Despite the significant progress of 6D pose estimation methods, their performance is usually limited for heavily occluded objects, which is a common case in imitation learning, where the object is typically partially occluded by the manipulating hand. Currently, there is a lack of datasets that would enable the development of robust 6D pose estimation methods for these conditions. To overcome this problem, we collect a new dataset (Imitrob) aimed at 6D pose estimation in imitation learning and other applications where a human holds a tool and performs a task. The dataset contains image sequences of nine different tools and twelve manipulation tasks with two camera viewpoints, four human subjects, and left/right hand. Each image is accompanied by an accurate ground truth measurement of the 6D object pose obtained by the HTC Vive motion tracking device. The use of the dataset is demonstrated by training and evaluating a recent 6D object pose estimation method (DOPE) in various setups.

In this work, we introduce Vid2Seq, a multi-modal single-stage dense event captioning model pretrained on narrated videos which are readily-available at scale. The Vid2Seq architecture augments a language model with special time tokens, allowing it to seamlessly predict event boundaries and textual descriptions in the same output sequence. Such a unified model requires large-scale training data, which is not available in current annotated datasets. We show that it is possible to leverage unlabeled narrated videos for dense video captioning, by reformulating sentence boundaries of transcribed speech as pseudo event boundaries, and using the transcribed speech sentences as pseudo event captions. The resulting Vid2Seq model pretrained on the YT-Temporal-1B dataset improves the state of the art on a variety of dense video captioning benchmarks including YouCook2, ViTT and ActivityNet Captions. Vid2Seq also generalizes well to the tasks of video paragraph captioning and video clip captioning, and to few-shot settings. Our code is publicly available at https://antoyang.github.io/vid2seq.html.