11 accepted papers
Generative modeling is increasingly important for data-driven computational design. Conventional approaches pair a generative model with a discriminative model to select or guide samples toward optimized designs. Yet discriminative models often struggle in data-scarce settings, common in scientific…
Generative models for structure-based drug design are often limited to a specific modality, restricting their broader applicability. To address this challenge, we introduce FuncBind, a framework based on computer vision to generate target-conditioned, all-atom molecules across atomic systems. FuncBi…
We introduce a new representation for 3D molecules based on their continuous atomic density fields. Using this representation, we propose a new model based on walk-jump sampling for unconditional 3D molecule generation in the continuous space using neural fields. Our model, FuncMol, encodes molecula…
We presents VoxBind, a new score-based generative model for 3D molecules conditioned on protein structures. Our approach represents molecules as 3D atomic density grids and leverages a 3D voxel-denoising network for learning and generation. We extend the neural empirical Bayes formalism (Saremi & Hy…
We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids. First, we train a denoising neural network that learns to map from a smooth distribution of noisy molecules to the distribution of real molecules. Then, we follow the _neural empirical Ba…
Robots in many real-world settings have access to force/torque sensors in their gripper and tactile sensing is often necessary for tasks that involve contact-rich motion. In this work, we leverage surprise from mismatches in haptics feedback to guide exploration in hard sparse-reward reinforcement l…
Learning-based approaches for semantic segmentation have two inherent challenges. First, acquiring pixel-wise labels is expensive and time-consuming. Second, realistic segmentation datasets are highly unbalanced: some categories are much more abundant than others, biasing the performance to the most…
Single-view 3D shape reconstruction is an important but challenging problem, mainly for two reasons. First, as shape annotation is very expensive to acquire, current methods rely on synthetic data, in which ground-truth 3D annotation is easy to obtain. However, this results in domain adaptation prob…
The objective of unsupervised domain adaptation is to leverage features from a labeled source domain and learn a classifier for an unlabeled target domain, with a similar but different data distribution. Most deep learning approaches consist of two steps: (i) learn features that preserve a low risk…
Object counting is an important task in computer vision due to its growing demand in applications such as surveillance, traffic monitoring, and counting everyday objects. State-of-the-art methods use regression-based optimization where they explicitly learn to count the objects of interest. These of…
We are interested in inferring object segmentation by leveraging only object class information, and by considering only minimal priors on the object segmentation task. This problem could be viewed as a kind of weakly supervised segmentation task, and naturally fits the Multiple Instance Learning (MI…