PerfDojo: Automated ML Library Generation for Heterogeneous Architectures

The increasing complexity of machine learning models and the proliferation of diverse hardware architectures (CPUs, GPUs, accelerators) make achieving optimal performance a significant challenge. Heterogeneity in instruction sets, specialized kernel requirements for different data types and model features (e.g., sparsity, quantization), and architecture-specific optimizations complicate performance tuning. Manual optimization is resource-intensive, while existing automatic approaches often rely on complex hardware-specific heuristics and uninterpretable intermediate representations, hindering performance portability. We introduce PerfLLM, a novel automatic optimization methodology leveraging Large Language Models (LLMs) and Reinforcement Learning (RL). Central to this is PerfDojo, an environment framing optimization as an RL game using a human-readable, mathematically-inspired code representation that guarantees semantic validity through transformations. This allows effective optimization without prior hardware knowledge, facilitating both human analysis and RL agent training. We demonstrate PerfLLM's ability to achieve significant performance gains across diverse CPU (x86, Arm, RISC-V) and GPU architectures.

Active Model Selection for Large Language Models

We introduce LLM SELECTOR, the first framework for active model selection of Large Language Models (LLMs). Unlike prior evaluation and benchmarking approaches that rely on fully annotated datasets, LLM SELECTOR efficiently identifies the best LLM with limited annotations. In particular, for any given task, LLM SELECTOR adaptively selects a small set of queries to annotate that are most informative about the best model for the task. To further reduce annotation cost, we leverage a judge-based oracle annotation model. Through extensive experiments on 6 benchmarks with 151 LLMs, we show that LLM SELECTOR reduces annotation costs by up to 59.62% when selecting the best and near-best LLM for the task.

Apertus: Democratizing Open and Compliant LLMs for Global Language Environments

We present Apertus, a fully open suite of large language models (LLMs) designed to address two systemic shortcomings in today's open model ecosystem: data compliance and multilingual representation. Unlike many prior models that release weights without reproducible data pipelines or regard for content-owner rights, Apertus models are pretrained exclusively on openly available data, retroactively respecting robots.txt exclusions and filtering for non-permissive, toxic, and personally identifiable content. To mitigate risks of memorization, we adopt the Goldfish objective during pretraining, strongly suppressing verbatim recall of data while retaining downstream task performance. The Apertus models also expand multilingual coverage, training on 15T tokens from over 1800 languages, with ~40% of pretraining data allocated to non-English content. Released at 8B and 70B scales, Apertus approaches state-of-the-art results among fully open models on multilingual benchmarks, rivalling or surpassing open-weight counterparts. Beyond model weights, we release all scientific artifacts from our development cycle with a permissive license, including data preparation scripts, checkpoints, evaluation suites, and training code, enabling transparent audit and extension.

AI Factories: It's time to rethink the Cloud-HPC divide

The strategic importance of artificial intelligence is driving a global push toward Sovereign AI initiatives. Nationwide governments are increasingly developing dedicated infrastructures, called AI Factories (AIF), to achieve technological autonomy and secure the resources necessary to sustain robust local digital ecosystems. In Europe, the EuroHPC Joint Undertaking is investing hundreds of millions of euros into several AI Factories, built atop existing high-performance computing (HPC) supercomputers. However, while HPC systems excel in raw performance, they are not inherently designed for usability, accessibility, or serving as public-facing platforms for AI services such as inference or agentic applications. In contrast, AI practitioners are accustomed to cloud-native technologies like Kubernetes and object storage, tools that are often difficult to integrate within traditional HPC environments. This article advocates for a dual-stack approach within supercomputers: integrating both HPC and cloud-native technologies. Our goal is to bridge the divide between HPC and cloud computing by combining high performance and hardware acceleration with ease of use and service-oriented front-ends. This convergence allows each paradigm to amplify the other. To this end, we will study the cloud challenges of HPC (Serverless HPC) and the HPC challenges of cloud technologies (High-performance Cloud).

Psychologically Enhanced AI Agents

We introduce MBTI-in-Thoughts, a framework for enhancing the effectiveness of Large Language Model (LLM) agents through psychologically grounded personality conditioning. Drawing on the Myers-Briggs Type Indicator (MBTI), our method primes agents with distinct personality archetypes via prompt engineering, enabling control over behavior along two foundational axes of human psychology, cognition and affect. We show that such personality priming yields consistent, interpretable behavioral biases across diverse tasks: emotionally expressive agents excel in narrative generation, while analytically primed agents adopt more stable strategies in game-theoretic settings. Our framework supports experimenting with structured multi-agent communication protocols and reveals that self-reflection prior to interaction improves cooperation and reasoning quality. To ensure trait persistence, we integrate the official 16Personalities test for automated verification. While our focus is on MBTI, we show that our approach generalizes seamlessly to other psychological frameworks such as Big Five, HEXACO, or Enneagram. By bridging psychological theory and LLM behavior design, we establish a foundation for psychologically enhanced AI agents without any fine-tuning.

Bine Trees: Enhancing Collective Operations by Optimizing Communication Locality

Communication locality plays a key role in the performance of collective operations on large HPC systems, especially on oversubscribed networks where groups of nodes are fully connected internally but sparsely linked through global connections. We present Bine (binomial negabinary) trees, a family of collective algorithms that improve communication locality. Bine trees maintain the generality of binomial trees and butterflies while cutting global-link traffic by up to 33%. We implement eight Bine-based collectives and evaluate them on four large-scale supercomputers with Dragonfly, Dragonfly+, oversubscribed fat-tree, and torus topologies, achieving up to 5x speedups and consistent reductions in global-link traffic across different vector sizes and node counts.

Benchmarking Filtered Approximate Nearest Neighbor Search Algorithms on Transformer-based Embedding Vectors

Advances in embedding models for text, image, audio, and video drive progress across multiple domains, including retrieval-augmented generation, recommendation systems, vehicle/person reidentification, and face recognition. Many applications in these domains require an efficient method to retrieve items that are close to a given query in the embedding space while satisfying a filter condition based on the item's attributes, a problem known as Filtered Approximate Nearest Neighbor Search (FANNS). In this work, we present a comprehensive survey and taxonomy of FANNS methods and analyze how they are benchmarked in the literature. By doing so, we identify a key challenge in the current FANNS landscape: the lack of diverse and realistic datasets, particularly ones derived from the latest transformer-based text embedding models. To address this, we introduce a novel dataset consisting of embedding vectors for the abstracts of over 2.7 million research articles from the arXiv repository, accompanied by 11 real-world attributes such as authors and categories. We benchmark a wide range of FANNS methods on our novel dataset and find that each method has distinct strengths and limitations; no single approach performs best across all scenarios. ACORN, for example, supports various filter types and performs reliably across dataset scales but is often outperformed by more specialized methods. SeRF shows excellent performance for range filtering on ordered attributes but cannot handle categorical attributes. Filtered-DiskANN and UNG excel on the medium-scale dataset but fail on the large-scale dataset, highlighting the challenge posed by transformer-based embeddings, which are often more than an order of magnitude larger than earlier embeddings. We conclude that no universally best method exists.

Evolving HPC services to enable ML workloads on HPE Cray EX

The Alps Research Infrastructure leverages GH200 technology at scale, featuring 10,752 GPUs. Accessing Alps provides a significant computational advantage for researchers in Artificial Intelligence (AI) and Machine Learning (ML). While Alps serves a broad range of scientific communities, traditional HPC services alone are not sufficient to meet the dynamic needs of the ML community. This paper presents an initial investigation into extending HPC service capabilities to better support ML workloads. We identify key challenges and gaps we have observed since the early-access phase (2023) of Alps by the Swiss AI community and propose several technological enhancements. These include a user environment designed to facilitate the adoption of HPC for ML workloads, balancing performance with flexibility; a utility for rapid performance screening of ML applications during development; observability capabilities and data products for inspecting ongoing large-scale ML workloads; a utility to simplify the vetting of allocated nodes for compute readiness; a service plane infrastructure to deploy various types of workloads, including support and inference services; and a storage infrastructure tailored to the specific needs of ML workloads. These enhancements aim to facilitate the execution of ML workloads on HPC systems, increase system usability and resilience, and better align with the needs of the ML community. We also discuss our current approach to security aspects. This paper concludes by placing these proposals in the broader context of changes in the communities served by HPC infrastructure like ours.

Higher-Order Graph Databases

Recent advances in graph databases (GDBs) have been driving interest in large-scale analytics, yet current systems fail to support higher-order (HO) interactions beyond first-order (one-hop) relations, which are crucial for tasks such as subgraph counting, polyadic modeling, and HO graph learning. We address this by introducing a new class of systems, higher-order graph databases (HO-GDBs) that use lifting and lowering paradigms to seamlessly extend traditional GDBs with HO. We provide a theoretical analysis of OLTP and OLAP queries, ensuring correctness, scalability, and ACID compliance. We implement a lightweight, modular, and parallelizable HO-GDB prototype that offers native support for hypergraphs, node-tuples, subgraphs, and other HO structures under a unified API. The prototype scales to large HO OLTP & OLAP workloads and shows how HO improves analytical tasks, for example enhancing accuracy of graph neural networks within a GDB by 44%. Our work ensures low latency and high query throughput, and generalizes both ACID-compliant and eventually consistent systems.

Finetuning a Weather Foundation Model with Lightweight Decoders for Unseen Physical Processes

Recent advances in AI weather forecasting have led to the emergence of so-called "foundation models", typically defined by expensive pretraining and minimal fine-tuning for downstream tasks. However, in the natural sciences, a desirable foundation model should also encode meaningful statistical relationships between the underlying physical variables. This study evaluates the performance of the state-of-the-art Aurora foundation model in predicting hydrological variables, which were not considered during pretraining. We introduce a lightweight approach using shallow decoders trained on the latent representations of the pretrained model to predict these new variables. As a baseline, we compare this to fine-tuning the full model, which allows further optimization of the latent space while incorporating new variables into both inputs and outputs. The decoder-based approach requires 50% less training time and 35% less memory, while achieving strong accuracy across various hydrological variables and preserving desirable properties of the foundation model, such as autoregressive stability. Notably, decoder accuracy depends on the physical correlation between the new variables and those used during pretraining, indicating that Aurora's latent space captures meaningful physical relationships. In this sense, we argue that an important quality metric for foundation models in Earth sciences is their ability to be extended to new variables without a full fine-tuning. This provides a new perspective for making foundation models more accessible to communities with limited computational resources, while supporting broader adoption in Earth sciences.