allegro
Suggest, Complement, Inspire: Story of Two Tower Recommendations at Allegro.com
Osowska-Kurczab, Aleksandra, Nazarko, Klaudia, Marzec, Mateusz, Wojciechowska, Lidia, Kremeňová, Eliška
Building large-scale e-commerce recommendation systems requires addressing three key technical challenges: (1) designing a universal recommendation architecture across dozens of placements, (2) decreasing excessive maintenance costs, and (3) managing a highly dynamic product catalogue. This paper presents a unified content-based recommendation system deployed at Allegro.com, the largest e-commerce platform of European origin. The system is built on a prevalent Two Tower retrieval framework, representing products using textual and structured attributes, which enables efficient retrieval via Approximate Nearest Neighbour search. We demonstrate how the same model architecture can be adapted to serve three distinct recommendation tasks: similarity search, complementary product suggestions, and inspirational content discovery, by modifying only a handful of components in either the model or the serving logic. Extensive A/B testing over two years confirms significant gains in engagement and profit-based metrics across desktop and mobile app channels. Our results show that a flexible, scalable architecture can serve diverse user intents with minimal maintenance overhead.
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chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations
Fuchs, Paul, Chen, Weilong, Thaler, Stephan, Zavadlav, Julija
Machine learning potentials (MLPs) have advanced rapidly and show great promise to transform molecular dynamics (MD) simulations. However, most existing software tools are tied to specific MLP architectures, lack integration with standard MD packages, or are not parallelizable across GPUs. To address these challenges, we present chemtrain-deploy, a framework that enables model-agnostic deployment of MLPs in LAMMPS. chemtrain-deploy supports any JAX-defined semi-local potential, allowing users to exploit the functionality of LAMMPS and perform large-scale MLP-based MD simulations on multiple GPUs. It achieves state-of-the-art efficiency and scales to systems containing millions of atoms. We validate its performance and scalability using graph neural network architectures, including MACE, Allegro, and PaiNN, applied to a variety of systems, such as liquid-vapor interfaces, crystalline materials, and solvated peptides. Our results highlight the practical utility of chemtrain-deploy for real-world, high-performance simulations and provide guidance for MLP architecture selection and future design.
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Learning Non-Local Molecular Interactions via Equivariant Local Representations and Charge Equilibration
Fuchs, Paul, Sanocki, Michał, Zavadlav, Julija
Graph Neural Network (GNN) potentials relying on chemical locality offer near-quantum mechanical accuracy at significantly reduced computational costs. By propagating local information to distance particles, Message-passing neural networks (MPNNs) extend the locality concept to model interactions beyond their local neighborhood. Still, this locality precludes modeling long-range effects, such as charge transfer, electrostatic interactions, and dispersion effects, which are critical to adequately describe many real-world systems. In this work, we propose the Charge Equilibration Layer for Long-range Interactions (CELLI) to address the challenging modeling of non-local interactions and the high computational cost of MPNNs. This novel architecture generalizes the fourth-generation high-dimensional neural network (4GHDNN) concept, integrating the charge equilibration (Qeq) method into a model-agnostic building block for modern equivariant GNN potentials. A series of benchmarks show that CELLI can extend the strictly local Allegro architecture to model highly non-local interactions and charge transfer. Our architecture generalizes to diverse datasets and large structures, achieving an accuracy comparable to MPNNs at about twice the computational efficiency.
A Framework for Designing Anthropomorphic Soft Hands through Interaction
Mannam, Pragna, Shaw, Kenneth, Bauer, Dominik, Oh, Jean, Pathak, Deepak, Pollard, Nancy
Modeling and simulating soft robot hands can aid in design iteration for complex and high degree-of-freedom (DoF) morphologies. This can be further supplemented by iterating on the design based on its performance in real world manipulation tasks. However, iterating in the real world requires a framework that allows us to test new designs quickly at low costs. In this paper, we present a framework that leverages rapid prototyping of the hand using 3D-printing, and utilizes teleoperation to evaluate the hand in real world manipulation tasks. Using this framework, we design a 3D-printed 16-DoF dexterous anthropomorphic soft hand (DASH) and iteratively improve its design over five iterations. Rapid prototyping techniques such as 3D-printing allow us to directly evaluate the fabricated hand without modeling it in simulation. We show that the design improves over five design iterations through evaluating the hand's performance in 30 real-world teleoperated manipulation tasks. Testing over 900 demonstrations shows that our final version of DASH can solve 19 of the 30 tasks compared to Allegro, a popular rigid hand in the market, which can only solve 7 tasks. We open-source our CAD models as well as the teleoperated dataset for further study.
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Scaling the leading accuracy of deep equivariant models to biomolecular simulations of realistic size
Musaelian, Albert, Johansson, Anders, Batzner, Simon, Kozinsky, Boris
This work brings the leading accuracy, sample efficiency, and robustness of deep equivariant neural networks to the extreme computational scale. This is achieved through a combination of innovative model architecture, massive parallelization, and models and implementations optimized for efficient GPU utilization. The resulting Allegro architecture bridges the accuracy-speed tradeoff of atomistic simulations and enables description of dynamics in structures of unprecedented complexity at quantum fidelity. To illustrate the scalability of Allegro, we perform nanoseconds-long stable simulations of protein dynamics and scale up to a 44-million atom structure of a complete, all-atom, explicitly solvated HIV capsid on the Perlmutter supercomputer. We demonstrate excellent strong scaling up to 100 million atoms and 70% weak scaling to 5120 A100 GPUs.
Time-reversal equivariant neural network potential and Hamiltonian for magnetic materials
Yu, Hongyu, Zhong, Yang, Ji, Junyi, Gong, Xingao, Xiang, Hongjun
This work presents Time-reversal Equivariant Neural Network (TENN) framework. With TENN, the time-reversal symmetry is considered in the equivariant neural network (ENN), which generalizes the ENN to consider physical quantities related to time-reversal symmetry such as spin and velocity of atoms. TENN-e3, as the time-reversal-extension of E(3) equivariant neural network, is developed to keep the Time-reversal E(3) equivariant with consideration of whether to include the spin-orbit effect for both collinear and non-collinear magnetic moments situations for magnetic material. TENN-e3 can construct spin neural network potential and the Hamiltonian of magnetic material from ab-initio calculations. Time-reversal-E(3)-equivariant convolutions for interactions of spinor and geometric tensors are employed in TENN-e3. Compared to the popular ENN, TENN-e3 can describe the complex spin-lattice coupling with high accuracy and keep time-reversal symmetry which is not preserved in the existing E(3)-equivariant model. Also, the Hamiltonian of magnetic material with time-reversal symmetry can be built with TENN-e3. TENN paves a new way to spin-lattice dynamics simulations over long-time scales and electronic structure calculations of large-scale magnetic materials.
Belle
High-level programming languages are an influential control paradigm for building agents that are purposeful in an incompletely known world. GOLOG, for example, allows us to write programs, with loops, whose constructs refer to an explicit world model axiomatized in the expressive language of the situation calculus. Over the years, GOLOG has been extended to deal with many other features, the claim being that these would be useful in robotic applications. Unfortunately, when robots are actually deployed, effectors and sensors are noisy, typically characterized over continuous probability distributions, none of which is supported in GOLOG, its dialects or its cousins. This paper presents ALLEGRO, a belief-based programming language for stochastic domains, that refashions GOLOG to allow for discrete and continuous initial uncertainty and noise. It is fully implemented and experiments demonstrate that ALLEGRO could be the basis for bridging high-level programming and probabilistic robotics technologies in a general way.
allegro.ai to showcase its deep learning perception platform
Deep learning computer vision startup allegro.ai is set to showcase its latest product offering, hosted at the Intel partner booth (booth #307), during the Embedded Vision Summit which will take place in Santa Clara, California on May 20-May 23, 2019. The company's platform and product suite simplify the process of developing and managing deep learning-powered perception solutions - such as for autonomous vehicles, medical imaging, drones, security, logistics and other use cases. The platform enables engineering and product managers to get the visibility and control they need, while research scientists focus their time on research and creative output. The result is meaningfully higher quality products, faster time-to-market, increased returns to scale, and materially lower costs. The company's investors include Robert Bosch Venture Capital GmbH, Samsung Catalyst Fund, Hyundai Motor Company, and other venture funds.
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Study Pours Cold Water on AI Driving Algorithms
A recent report emerging from the center of U.S. auto manufacturing rains on the AI parade with research results claiming autonomous vehicle algorithms fare poorly in bad weather. The study by researchers at Michigan State University found that even light rain or drizzle can interfere with algorithms used in self-driving car cameras. That could mean future fleets might initially be restricted to sunny states like Arizona, California and Florida. The Michigan State study determined that the core problem stems not from cameras used as primary sensors for detecting obstacles but the algorithms used to sort through computer vision data. "When we run these algorithms, we see very noticeable, tangible degradation in detection," Hayder Radha, a Michigan State University professor of electrical and computer engineering, told Automotive Newsin late November. "Even low-intensity rain can really create some serious problems, and as you increase the intensity, the performance of what we consider state-of-the-art mechanisms can almost become paralyzed," added Rahda, who oversaw the study.
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Allegro.AI - Deep Learning and Computer Vision Platform
Allegro enables you to spawn model subsets per edge-device and continuously train each one with newly acquired data from the edge-device where it operates. Creating increasingly accurate personalized models which are built to run within the compute constraints of the respective edge device. Essentially, your edge-devices become smarter, each tailored to its own unique environment and resources.