Hans-Peter Seidel

CV
h-index16
3papers
119citations
Novelty67%
AI Score31

3 Papers

1.2CHEM-PHFeb 26, 2024
TrustMol: Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics

Kevin Tirta Wijaya, Navid Ansari, Hans-Peter Seidel et al.

Data-driven generation of molecules with desired properties, also known as inverse molecular design (IMD), has attracted significant attention in recent years. Despite the significant progress in the accuracy and diversity of solutions, existing IMD methods lag behind in terms of trustworthiness. The root issue is that the design process of these methods is increasingly more implicit and indirect, and this process is also isolated from the native forward process (NFP), the ground-truth function that models the molecular dynamics. Following this insight, we propose TrustMol, an IMD method built to be trustworthy. For this purpose, TrustMol relies on a set of technical novelties including a new variational autoencoder network. Moreover, we propose a latent-property pairs acquisition method to effectively navigate the complexities of molecular latent optimization, a process that seems intuitive yet challenging due to the high-frequency and discontinuous nature of molecule space. TrustMol also integrates uncertainty-awareness into molecular latent optimization. These lead to improvements in both explainability and reliability of the IMD process. We validate the trustworthiness of TrustMol through a wide range of experiments.

7.6CVMay 26, 2019
EgoFace: Egocentric Face Performance Capture and Videorealistic Reenactment

Mohamed Elgharib, Mallikarjun BR, Ayush Tewari et al.

Face performance capture and reenactment techniques use multiple cameras and sensors, positioned at a distance from the face or mounted on heavy wearable devices. This limits their applications in mobile and outdoor environments. We present EgoFace, a radically new lightweight setup for face performance capture and front-view videorealistic reenactment using a single egocentric RGB camera. Our lightweight setup allows operations in uncontrolled environments, and lends itself to telepresence applications such as video-conferencing from dynamic environments. The input image is projected into a low dimensional latent space of the facial expression parameters. Through careful adversarial training of the parameter-space synthetic rendering, a videorealistic animation is produced. Our problem is challenging as the human visual system is sensitive to the smallest face irregularities that could occur in the final results. This sensitivity is even stronger for video results. Our solution is trained in a pre-processing stage, through a supervised manner without manual annotations. EgoFace captures a wide variety of facial expressions, including mouth movements and asymmetrical expressions. It works under varying illuminations, background, movements, handles people from different ethnicities and can operate in real time.

23.2CVJan 3, 2018
LIME: Live Intrinsic Material Estimation

Abhimitra Meka, Maxim Maximov, Michael Zollhoefer et al.

We present the first end to end approach for real time material estimation for general object shapes with uniform material that only requires a single color image as input. In addition to Lambertian surface properties, our approach fully automatically computes the specular albedo, material shininess, and a foreground segmentation. We tackle this challenging and ill posed inverse rendering problem using recent advances in image to image translation techniques based on deep convolutional encoder decoder architectures. The underlying core representations of our approach are specular shading, diffuse shading and mirror images, which allow to learn the effective and accurate separation of diffuse and specular albedo. In addition, we propose a novel highly efficient perceptual rendering loss that mimics real world image formation and obtains intermediate results even during run time. The estimation of material parameters at real time frame rates enables exciting mixed reality applications, such as seamless illumination consistent integration of virtual objects into real world scenes, and virtual material cloning. We demonstrate our approach in a live setup, compare it to the state of the art, and demonstrate its effectiveness through quantitative and qualitative evaluation.