Daily Papers

We present a re-discovery of G278.94+1.35 as possibly one of the largest known Galactic supernova remnants (SNR) - that we name Diprotodon. While previously established as a Galactic SNR, Diprotodon is visible in our new EMU and GLEAM radio continuum images at an angular size of 3.33x3.23 deg, much larger than previously measured. At the previously suggested distance of 2.7 kpc, this implies a diameter of 157x152 pc. This size would qualify Diprotodon as the largest known SNR and pushes our estimates of SNR sizes to the upper limits. We investigate the environment in which the SNR is located and examine various scenarios that might explain such a large and relatively bright SNR appearance. We find that Diprotodon is most likely at a much closer distance of sim1 kpc, implying its diameter is 58x56 pc and it is in the radiative evolutionary phase. We also present a new Fermi-LAT data analysis that confirms the angular extent of the SNR in gamma-rays. The origin of the high-energy emission remains somewhat puzzling, and the scenarios we explore reveal new puzzles, given this unexpected and unique observation of a seemingly evolved SNR having a hard GeV spectrum with no breaks. We explore both leptonic and hadronic scenarios, as well as the possibility that the high-energy emission arises from the leftover particle population of a historic pulsar wind nebula.

AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify. We present ResearchClawBench, a benchmark for evaluating autonomous scientific research across 40 tasks from 10 scientific domains. Each task is grounded in a real published paper, provides related literature and raw data, and hides the target paper during evaluation. Expert-curated multimodal rubrics decompose the target scientific artifacts into weighted criteria, enabling evaluation of target-paper-level re-discovery while leaving room for new discovery. We evaluate seven autonomous research (auto-research) agents under a unified protocol and seventeen native LLMs through the lightweight ResearchHarness. Current systems remain far from reliable re-discovery: the strongest autonomous agent, Claude Code, averages 21.5, and the strongest ResearchHarness LLM, Claude-Opus-4.7, averages 20.7, with an LLM frontier mean of only 26.5. Error analysis shows that failures concentrate in experimental protocol mismatch, evidence mismatch, and missing scientific core. ResearchClawBench provides a reproducible evaluation frontier for measuring progress toward autonomous scientific research.

Topological kagome systems have been a topic of great interest in condensed matter physics due totheir unique electronic properties. The vanadium-based kagome materials are particularly intrigu-ing since they exhibit exotic phenomena such as charge density wave (CDW) and unconventionalsuperconductivity. The origin of these electronic instabilities is not fully understood, and the re-cent discovery of a charge density wave in ScV6Sn6provides a new avenue for investigation. In thiswork, we investigate the electronic structure of the novel kagome metal ScV6Sn6using angle resolvedphotoemission spectroscopy (ARPES), scanning tunneling microscopy (STM), and first-principlesdensity functional theory calculations. Our analysis reveals for the first time the temperature-dependent band changes of ScV6Sn6and identifies a new band that exhibits a strong signatureof a structure with CDW below the critical temperature. Further analysis revealed that this newband is due to the surface kagome layer of the CDW structure. In addition, a Lifshitz transition isidentified in the ARPES spectra that is related to the saddle point moving across the Fermi levelat the critical temperature for the CDW formation. This result shows the CDW behavior may alsobe related to nesting of the saddle point, similar to related materials. However, no energy gap is observed at the Fermi level and thus the CDW is not a typical Fermi surface nesting scenario. These results provide new insights into the underlying physics of the CDW in the kagome materials and could have implications for the development of materials with new functionality.

Visible-infrared person re-identification (VIReID) primarily deals with matching identities across person images from different modalities. Due to the modality gap between visible and infrared images, cross-modality identity matching poses significant challenges. Recognizing that high-level semantics of pedestrian appearance, such as gender, shape, and clothing style, remain consistent across modalities, this paper intends to bridge the modality gap by infusing visual features with high-level semantics. Given the capability of CLIP to sense high-level semantic information corresponding to visual representations, we explore the application of CLIP within the domain of VIReID. Consequently, we propose a CLIP-Driven Semantic Discovery Network (CSDN) that consists of Modality-specific Prompt Learner, Semantic Information Integration (SII), and High-level Semantic Embedding (HSE). Specifically, considering the diversity stemming from modality discrepancies in language descriptions, we devise bimodal learnable text tokens to capture modality-private semantic information for visible and infrared images, respectively. Additionally, acknowledging the complementary nature of semantic details across different modalities, we integrate text features from the bimodal language descriptions to achieve comprehensive semantics. Finally, we establish a connection between the integrated text features and the visual features across modalities. This process embed rich high-level semantic information into visual representations, thereby promoting the modality invariance of visual representations. The effectiveness and superiority of our proposed CSDN over existing methods have been substantiated through experimental evaluations on multiple widely used benchmarks. The code will be released at https://github.com/nengdong96/CSDN.

EVMbench, released by OpenAI, Paradigm, and OtterSec, is the first large-scale benchmark for AI agents on smart contract security. Its results -- agents detect up to 45.6% of vulnerabilities and exploit 72.2% of a curated subset -- have fueled expectations that fully automated AI auditing is within reach. We identify two limitations: its narrow evaluation scope (14 agent configurations, most models tested on only their vendor scaffold) and its reliance on audit-contest data published before every model's release that models may have seen during training. To address these, we expand to 26 configurations across four model families and three scaffolds, and introduce a contamination-free dataset of 22 real-world security incidents postdating every model's release date. Our evaluation yields three findings: (1) agents' detection results are not stable, with rankings shifting across configurations, tasks, and datasets; (2) on real-world incidents, no agent succeeds at end-to-end exploitation across all 110 agent-incident pairs despite detecting up to 65% of vulnerabilities, contradicting EVMbench's conclusion that discovery is the primary bottleneck; and (3) scaffolding materially affects results, with an open-source scaffold outperforming vendor alternatives by up to 5 percentage points, yet EVMbench does not control for this. These findings challenge the narrative that fully automated AI auditing is imminent. Agents reliably catch well-known patterns and respond strongly to human-provided context, but cannot replace human judgment. For developers, agent scans serve as a pre-deployment check. For audit firms, agents are most effective within a human-in-the-loop workflow where AI handles breadth and human auditors contribute protocol-specific knowledge and adversarial reasoning. Code and data: https://github.com/blocksecteam/ReEVMBench/.

Most existing person re-identification (re-id) methods rely on supervised model learning on per-camera-pair manually labelled pairwise training data. This leads to poor scalability in a practical re-id deployment, due to the lack of exhaustive identity labelling of positive and negative image pairs for every camera-pair. In this work, we present an unsupervised re-id deep learning approach. It is capable of incrementally discovering and exploiting the underlying re-id discriminative information from automatically generated person tracklet data end-to-end. We formulate an Unsupervised Tracklet Association Learning (UTAL) framework. This is by jointly learning within-camera tracklet discrimination and cross-camera tracklet association in order to maximise the discovery of tracklet identity matching both within and across camera views. Extensive experiments demonstrate the superiority of the proposed model over the state-of-the-art unsupervised learning and domain adaptation person re-id methods on eight benchmarking datasets.

Computer vision methods that explicitly detect object parts and reason on them are a step towards inherently interpretable models. Existing approaches that perform part discovery driven by a fine-grained classification task make very restrictive assumptions on the geometric properties of the discovered parts; they should be small and compact. Although this prior is useful in some cases, in this paper we show that pre-trained transformer-based vision models, such as self-supervised DINOv2 ViT, enable the relaxation of these constraints. In particular, we find that a total variation (TV) prior, which allows for multiple connected components of any size, substantially outperforms previous work. We test our approach on three fine-grained classification benchmarks: CUB, PartImageNet and Oxford Flowers, and compare our results to previously published methods as well as a re-implementation of the state-of-the-art method PDiscoNet with a transformer-based backbone. We consistently obtain substantial improvements across the board, both on part discovery metrics and the downstream classification task, showing that the strong inductive biases in self-supervised ViT models require to rethink the geometric priors that can be used for unsupervised part discovery.

In modern data-driven science, reproducibility and reusability are key challenges. Scientists are well skilled in the process from data to publication. Although some publication channels require source code and data to be made accessible, rerunning and verifying experiments is usually hard due to a lack of standards. Therefore, reusing existing scientific data processing code from state-of-the-art research is hard as well. This is why we introduce CLAIMED, which has a proven track record in scientific research for addressing the repeatability and reusability issues in modern data-driven science. CLAIMED is a framework to build reusable operators and scalable scientific workflows by supporting the scientist to draw from previous work by re-composing workflows from existing libraries of coarse-grained scientific operators. Although various implementations exist, CLAIMED is programming language, scientific library, and execution environment agnostic.

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

The strength of modern generative models lies in their ability to be controlled through text-based prompts. Typical "hard" prompts are made from interpretable words and tokens, and must be hand-crafted by humans. There are also "soft" prompts, which consist of continuous feature vectors. These can be discovered using powerful optimization methods, but they cannot be easily interpreted, re-used across models, or plugged into a text-based interface. We describe an approach to robustly optimize hard text prompts through efficient gradient-based optimization. Our approach automatically generates hard text-based prompts for both text-to-image and text-to-text applications. In the text-to-image setting, the method creates hard prompts for diffusion models, allowing API users to easily generate, discover, and mix and match image concepts without prior knowledge on how to prompt the model. In the text-to-text setting, we show that hard prompts can be automatically discovered that are effective in tuning LMs for classification.

Clinical image interpretation is inherently multi-step and tool-centric: clinicians iteratively combine visual evidence with patient context, quantify findings, and refine their decisions through a sequence of specialized procedures. While LLM-based agents promise to orchestrate such heterogeneous medical tools, existing systems treat tool sets and invocation strategies as static after deployment. This design is brittle under real-world domain shifts, across tasks, and evolving diagnostic requirements, where predefined tool chains frequently degrade and demand costly manual re-design. We propose MACRO, a self-evolving, experience-augmented medical agent that shifts from static tool composition to experience-driven tool discovery. From verified execution trajectories, the agent autonomously identifies recurring effective multi-step tool sequences, synthesizes them into reusable composite tools, and registers these as new high-level primitives that continuously expand its behavioral repertoire. A lightweight image-feature memory grounds tool selection in a visual-clinical context, while a GRPO-like training loop reinforces reliable invocation of discovered composites, enabling closed-loop self-improvement with minimal supervision. Extensive experiments across diverse medical imaging datasets and tasks demonstrate that autonomous composite tool discovery consistently improves multi-step orchestration accuracy and cross-domain generalization over strong baselines and recent state-of-the-art agentic methods, bridging the gap between brittle static tool use and adaptive, context-aware clinical AI assistance. Code will be available upon acceptance.

Bold claims about AI's role in science-from "AGI will cure all diseases" to promises of radically accelerated discovery-raise a central epistemic question: do large language models (LLMs) truly generate new knowledge, or do they merely remix memorized fragments? We propose unlearning-as-ablation as a falsifiable probe of constructive scientific discovery. The idea is to systematically remove a target result together with its forget-closure (supporting lemmas, paraphrases, and multi-hop entailments) and then evaluate whether the model can re-derive the result from only permitted axioms and tools. Success would indicate generative capability beyond recall; failure would expose current limits. Unlike prevailing motivations for unlearning-privacy, copyright, or safety-our framing repositions it as an epistemic probe for AI-for-Science. We outline a minimal pilot in mathematics and algorithms to illustrate feasibility, and sketch how the same approach could later be extended to domains such as physics or chemistry. This is a position paper: our contribution is conceptual and methodological, not empirical. We aim to stimulate discussion on how principled ablation tests could help distinguish models that reconstruct knowledge from those that merely retrieve it, and how such probes might guide the next generation of AI-for-Science benchmarks.

Large language models (LLMs) have enabled agent-based systems that aim to automate scientific research workflows. Most existing approaches focus on fully autonomous discovery, where AI systems generate research ideas, conduct analyses, and produce manuscripts with minimal human involvement. However, empirical research in economics and the social sciences poses additional constraints: research questions must be grounded in available datasets, identification strategies require careful design, and human judgment remains essential for evaluating economic significance. We introduce HLER (Human-in-the-Loop Economic Research), a multi-agent architecture that supports empirical research automation while preserving critical human oversight. The system orchestrates specialized agents for data auditing, data profiling, hypothesis generation, econometric analysis, manuscript drafting, and automated review. A key design principle is dataset-aware hypothesis generation, where candidate research questions are constrained by dataset structure, variable availability, and distributional diagnostics, reducing infeasible or hallucinated hypotheses. HLER further implements a two-loop architecture: a question quality loop that screens and selects feasible hypotheses, and a research revision loop where automated review triggers re-analysis and manuscript revision. Human decision gates are embedded at key stages, allowing researchers to guide the automated pipeline. Experiments on three empirical datasets show that dataset-aware hypothesis generation produces feasible research questions in 87% of cases (versus 41% under unconstrained generation), while complete empirical manuscripts can be produced at an average API cost of 0.8-1.5 per run. These results suggest that Human-AI collaborative pipelines may provide a practical path toward scalable empirical research.

There has been a surge of interest in harnessing the reasoning capabilities of Large Language Models (LLMs) to accelerate scientific discovery. While existing approaches rely on grounding the discovery process within the relevant literature, effectiveness varies significantly with the quality and nature of the retrieved literature. We address the challenge of retrieving prior work whose concepts can inspire solutions for a given research problem, a task we define as Methodology Inspiration Retrieval (MIR). We construct a novel dataset tailored for training and evaluating retrievers on MIR, and establish baselines. To address MIR, we build the Methodology Adjacency Graph (MAG); capturing methodological lineage through citation relationships. We leverage MAG to embed an "intuitive prior" into dense retrievers for identifying patterns of methodological inspiration beyond superficial semantic similarity. This achieves significant gains of +5.4 in Recall@3 and +7.8 in Mean Average Precision (mAP) over strong baselines. Further, we adapt LLM-based re-ranking strategies to MIR, yielding additional improvements of +4.5 in Recall@3 and +4.8 in mAP. Through extensive ablation studies and qualitative analyses, we exhibit the promise of MIR in enhancing automated scientific discovery and outline avenues for advancing inspiration-driven retrieval.

Text-to-image generation has achieved astonishing results, yet precise spatial controllability and prompt fidelity remain highly challenging. This limitation is typically addressed through cumbersome prompt engineering, scene layout conditioning, or image editing techniques which often require hand drawn masks. Nonetheless, pre-existing works struggle to take advantage of the natural instance-level compositionality of scenes due to the typically flat nature of rasterized RGB output images. Towards adressing this challenge, we introduce MuLAn: a novel dataset comprising over 44K MUlti-Layer ANnotations of RGB images as multilayer, instance-wise RGBA decompositions, and over 100K instance images. To build MuLAn, we developed a training free pipeline which decomposes a monocular RGB image into a stack of RGBA layers comprising of background and isolated instances. We achieve this through the use of pretrained general-purpose models, and by developing three modules: image decomposition for instance discovery and extraction, instance completion to reconstruct occluded areas, and image re-assembly. We use our pipeline to create MuLAn-COCO and MuLAn-LAION datasets, which contain a variety of image decompositions in terms of style, composition and complexity. With MuLAn, we provide the first photorealistic resource providing instance decomposition and occlusion information for high quality images, opening up new avenues for text-to-image generative AI research. With this, we aim to encourage the development of novel generation and editing technology, in particular layer-wise solutions. MuLAn data resources are available at https://MuLAn-dataset.github.io/.

Reinforcement learning from verifiable rewards has significantly advanced the reasoning capabilities of large language models. However, Group Relative Policy Optimization (GRPO) typically assigns a uniform, sequence-level advantage to all tokens, thereby overlooking the intrinsic information heterogeneity along reasoning chains. We show that this coarse-grained credit assignment leads to premature entropy collapse and encourages the model to generate redundant, low-quality reasoning paths. Through systematic empirical analysis, we identify Critical Decision Pivots (CDPs): transient high-entropy states where the policy's trajectory is most sensitive to perturbations. These pivots represent the "forks in the road" where effective multi-path exploration is most crucial yet often suppressed by uniform advantage signals. Building on these insights, we propose Entropy-Regulated Policy Optimization (ERPO), which transitions the optimization focus from coarse sequences to fine-grained token dynamics. ERPO introduces three synergistic components: (i) Entropy-aware Gating, which adaptively amplifies exploration at CDPs to facilitate diverse path discovery; (ii) Bucket-based Implicit Normalization, which mitigates difficulty bias by aligning token progress windows; and (iii) Result-anchored Advantage Synthesis, which re-weights token-level signals via outcome-driven anchors. Extensive experiments on competitive mathematical benchmarks demonstrate that ERPO significantly outperforms GRPO. Notably, ERPO not only boosts reasoning accuracy but also yields significantly more concise and robust derivation paths, while achieving performance comparable to large models with orders of magnitude more parameters.

Despite their impressive performance on complex tasks, current language models (LMs) typically operate in a vacuum: Each input query is processed separately, without retaining insights from previous attempts. Here, we present Dynamic Cheatsheet (DC), a lightweight framework that endows a black-box LM with a persistent, evolving memory. Rather than repeatedly re-discovering or re-committing the same solutions and mistakes, DC enables models to store and reuse accumulated strategies, code snippets, and general problem-solving insights at inference time. This test-time learning enhances performance substantially across a range of tasks without needing explicit ground-truth labels or human feedback. Leveraging DC, Claude 3.5 Sonnet's accuracy more than doubled on AIME math exams once it began retaining algebraic insights across questions. Similarly, GPT-4o's success rate on Game of 24 increased from 10% to 99% after the model discovered and reused a Python-based solution. In tasks prone to arithmetic mistakes, such as balancing equations, DC enabled GPT-4o and Claude to reach near-perfect accuracy by recalling previously validated code, whereas their baselines stagnated around 50%. Beyond arithmetic challenges, DC yields notable accuracy gains on knowledge-demanding tasks. Claude achieved a 9% improvement in GPQA-Diamond and an 8% boost on MMLU-Pro problems. Crucially, DC's memory is self-curated, focusing on concise, transferable snippets rather than entire transcript. Unlike finetuning or static retrieval methods, DC adapts LMs' problem-solving skills on the fly, without modifying their underlying parameters. Overall, our findings present DC as a promising approach for augmenting LMs with persistent memory, bridging the divide between isolated inference events and the cumulative, experience-driven learning characteristic of human cognition.

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed strategies that do not improve with experience. In this paper, we introduce the first symbolic regression method that leverages large scale pre-training. We procedurally generate an unbounded set of equations, and simultaneously pre-train a Transformer to predict the symbolic equation from a corresponding set of input-output-pairs. At test time, we query the model on a new set of points and use its output to guide the search for the equation. We show empirically that this approach can re-discover a set of well-known physical equations, and that it improves over time with more data and compute.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

Decision-based adversarial attacks construct inputs that fool a machine-learning model into making targeted mispredictions by making only hard-label queries. For the most part, these attacks have been applied directly to isolated neural network models. However, in practice, machine learning models are just a component of a much larger system. By adding just a single preprocessor in front of a classifier, we find that state-of-the-art query-based attacks are as much as seven times less effective at attacking a prediction pipeline than attacking the machine learning model alone. Hence, attacks that are unaware of this invariance inevitably waste a large number of queries to re-discover or overcome it. We, therefore, develop techniques to first reverse-engineer the preprocessor and then use this extracted information to attack the end-to-end system. Our extraction method requires only a few hundred queries to learn the preprocessors used by most publicly available model pipelines, and our preprocessor-aware attacks recover the same efficacy as just attacking the model alone. The code can be found at https://github.com/google-research/preprocessor-aware-black-box-attack.

The transcriptional response to genetic perturbation reveals fundamental insights into complex cellular systems. While current approaches have made progress in predicting genetic perturbation responses, they provide limited biological understanding and cannot systematically refine existing knowledge. Overcoming these limitations requires an end-to-end integration of data-driven learning and existing knowledge. However, this integration is challenging due to inconsistencies between data and knowledge bases, such as noise, misannotation, and incompleteness. To address this challenge, we propose ALIGNED (Adaptive aLignment for Inconsistent Genetic kNowledgE and Data), a neuro-symbolic framework based on the Abductive Learning (ABL) paradigm. This end-to-end framework aligns neural and symbolic components and performs systematic knowledge refinement. We introduce a balanced consistency metric to evaluate the predictions' consistency against both data and knowledge. Our results show that ALIGNED outperforms state-of-the-art methods by achieving the highest balanced consistency, while also re-discovering biologically meaningful knowledge. Our work advances beyond existing methods to enable both the transparency and the evolution of mechanistic biological understanding.

Test-Time Scaling enhances the reasoning capabilities of Large Language Models by allocating additional inference compute to broaden the exploration of the solution space. However, existing search strategies typically treat rollouts as disposable samples, where valuable intermediate insights are effectively discarded after each trial. This systemic memorylessness leads to massive computational redundancy, as models repeatedly re-derive discovered conclusions and revisit known dead ends across extensive attempts. To bridge this gap, we propose Recycling Search Experience (RSE), a self-guided, training-free strategy that turns test-time search from a series of isolated trials into a cumulative process. By actively distilling raw trajectories into a shared experience bank, RSE enables positive recycling of intermediate conclusions to shortcut redundant derivations and negative recycling of failure patterns to prune encountered dead ends. Theoretically, we provide an analysis that formalizes the efficiency gains of RSE, validating its advantage over independent sampling in solving complex reasoning tasks. Empirically, extensive experiments on HMMT24, HMMT25, IMO-Bench, and HLE show that RSE consistently outperforms strong baselines with comparable computational cost, achieving state-of-the-art scaling efficiency.

Recent progress in generative diffusion models has greatly advanced text-to-video generation. While text-to-video models trained on large-scale, diverse datasets can produce varied outputs, these generations often deviate from user preferences, highlighting the need for preference alignment on pre-trained models. Although Direct Preference Optimization (DPO) has demonstrated significant improvements in language and image generation, we pioneer its adaptation to video diffusion models and propose a VideoDPO pipeline by making several key adjustments. Unlike previous image alignment methods that focus solely on either (i) visual quality or (ii) semantic alignment between text and videos, we comprehensively consider both dimensions and construct a preference score accordingly, which we term the OmniScore. We design a pipeline to automatically collect preference pair data based on the proposed OmniScore and discover that re-weighting these pairs based on the score significantly impacts overall preference alignment. Our experiments demonstrate substantial improvements in both visual quality and semantic alignment, ensuring that no preference aspect is neglected. Code and data will be shared at https://videodpo.github.io/.

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that directly predicts some metrics for large models solely based on the results and hyperparameters from small models. Existing methods based on scaling laws require hyperparameter search on the largest models, which is impractical with limited resources. We address this issue by presenting our discoveries indicating that Maximal Update parametrization (Mup) enables accurate fitting of scaling laws for hyperparameters close to common loss basins, without any search. Thus, different models can be directly compared on large scales with loss prediction even before the training starts. We propose a new paradigm as a first step towards reliable academic research for any model scale without heavy computation. Code is publicly available at https://github.com/cofe-ai/Mu-scaling.

Sparse Autoencoders (SAEs) can efficiently identify candidate monosemantic features from pretrained neural networks for galaxy morphology. We demonstrate this on Euclid Q1 images using both supervised (Zoobot) and new self-supervised (MAE) models. Our publicly released MAE achieves superhuman image reconstruction performance. While a Principal Component Analysis (PCA) on the supervised model primarily identifies features already aligned with the Galaxy Zoo decision tree, SAEs can identify interpretable features outside of this framework. SAE features also show stronger alignment than PCA with Galaxy Zoo labels. Although challenges in interpretability remain, SAEs provide a powerful engine for discovering astrophysical phenomena beyond the confines of human-defined classification.

The drive for predictable LLM reasoning in their integration with compound systems has popularized structured outputs, yet concerns remain about performance trade-offs compared to unconstrained natural language. At the same time, training on unconstrained Chain of Thought (CoT) traces has brought about a new class of strong reasoning models that nevertheless present novel compute budget and faithfulness challenges. This paper introduces iSelf-Discover, an instance-level adaptation of the Self-Discover framework, and using it compares dynamically generated structured JSON reasoning with its unstructured counterpart. Our empirical evaluation across diverse benchmarks using state-of-the-art open-source models supports a consistent advantage for unstructured reasoning. Notably, on the complex MATH benchmark, unstructured plans achieved relative performance improvements of up to 18.90\% over structured approaches. Zero-shot unstructured iSelf-Discover variants are also shown to outperform their five-shot structured counterparts, underscoring the significance of this gap, even when structured plans are dynamically generated to ensure reasoning precedes the final answer. We further demonstrate that the optimal granularity of plan generation (instance-level vs. task-level) is context-dependent. These findings invite re-evaluation of the reliance on structured formats for complex problem-solving and how compound systems should be organized.

Current clothes-changing person re-identification (re-id) approaches usually perform retrieval based on clothes-irrelevant features, while neglecting the potential of clothes-relevant features. However, we observe that relying solely on clothes-irrelevant features for clothes-changing re-id is limited, since they often lack adequate identity information and suffer from large intra-class variations. On the contrary, clothes-relevant features can be used to discover same-clothes intermediaries that possess informative identity clues. Based on this observation, we propose a Feasibility-Aware Intermediary Matching (FAIM) framework to additionally utilize clothes-relevant features for retrieval. Firstly, an Intermediary Matching (IM) module is designed to perform an intermediary-assisted matching process. This process involves using clothes-relevant features to find informative intermediates, and then using clothes-irrelevant features of these intermediates to complete the matching. Secondly, in order to reduce the negative effect of low-quality intermediaries, an Intermediary-Based Feasibility Weighting (IBFW) module is designed to evaluate the feasibility of intermediary matching process by assessing the quality of intermediaries. Extensive experiments demonstrate that our method outperforms state-of-the-art methods on several widely-used clothes-changing re-id benchmarks.

Recently, self-attention mechanisms have shown impressive performance in various NLP and CV tasks, which can help capture sequential characteristics and derive global information. In this work, we explore how to extend self-attention modules to better learn subtle feature embeddings for recognizing fine-grained objects, e.g., different bird species or person identities. To this end, we propose a dual cross-attention learning (DCAL) algorithm to coordinate with self-attention learning. First, we propose global-local cross-attention (GLCA) to enhance the interactions between global images and local high-response regions, which can help reinforce the spatial-wise discriminative clues for recognition. Second, we propose pair-wise cross-attention (PWCA) to establish the interactions between image pairs. PWCA can regularize the attention learning of an image by treating another image as distractor and will be removed during inference. We observe that DCAL can reduce misleading attentions and diffuse the attention response to discover more complementary parts for recognition. We conduct extensive evaluations on fine-grained visual categorization and object re-identification. Experiments demonstrate that DCAL performs on par with state-of-the-art methods and consistently improves multiple self-attention baselines, e.g., surpassing DeiT-Tiny and ViT-Base by 2.8% and 2.4% mAP on MSMT17, respectively.

Visible-infrared person re-identification (VI-ReID) is a challenging task due to large cross-modality discrepancies and intra-class variations. Existing methods mainly focus on learning modality-shared representations by embedding different modalities into the same feature space. As a result, the learned feature emphasizes the common patterns across modalities while suppressing modality-specific and identity-aware information that is valuable for Re-ID. To address these issues, we propose a novel Modality Unifying Network (MUN) to explore a robust auxiliary modality for VI-ReID. First, the auxiliary modality is generated by combining the proposed cross-modality learner and intra-modality learner, which can dynamically model the modality-specific and modality-shared representations to alleviate both cross-modality and intra-modality variations. Second, by aligning identity centres across the three modalities, an identity alignment loss function is proposed to discover the discriminative feature representations. Third, a modality alignment loss is introduced to consistently reduce the distribution distance of visible and infrared images by modality prototype modeling. Extensive experiments on multiple public datasets demonstrate that the proposed method surpasses the current state-of-the-art methods by a significant margin.

Unsupervised domain adaptation (UDA) for person re-identification is challenging because of the huge gap between the source and target domain. A typical self-training method is to use pseudo-labels generated by clustering algorithms to iteratively optimize the model on the target domain. However, a drawback to this is that noisy pseudo-labels generally cause trouble in learning. To address this problem, a mutual learning method by dual networks has been developed to produce reliable soft labels. However, as the two neural networks gradually converge, their complementarity is weakened and they likely become biased towards the same kind of noise. This paper proposes a novel light-weight module, the Attentive WaveBlock (AWB), which can be integrated into the dual networks of mutual learning to enhance the complementarity and further depress noise in the pseudo-labels. Specifically, we first introduce a parameter-free module, the WaveBlock, which creates a difference between features learned by two networks by waving blocks of feature maps differently. Then, an attention mechanism is leveraged to enlarge the difference created and discover more complementary features. Furthermore, two kinds of combination strategies, i.e. pre-attention and post-attention, are explored. Experiments demonstrate that the proposed method achieves state-of-the-art performance with significant improvements on multiple UDA person re-identification tasks. We also prove the generality of the proposed method by applying it to vehicle re-identification and image classification tasks. Our codes and models are available at https://github.com/WangWenhao0716/Attentive-WaveBlock.

Fast linear transforms are ubiquitous in machine learning, including the discrete Fourier transform, discrete cosine transform, and other structured transformations such as convolutions. All of these transforms can be represented by dense matrix-vector multiplication, yet each has a specialized and highly efficient (subquadratic) algorithm. We ask to what extent hand-crafting these algorithms and implementations is necessary, what structural priors they encode, and how much knowledge is required to automatically learn a fast algorithm for a provided structured transform. Motivated by a characterization of fast matrix-vector multiplication as products of sparse matrices, we introduce a parameterization of divide-and-conquer methods that is capable of representing a large class of transforms. This generic formulation can automatically learn an efficient algorithm for many important transforms; for example, it recovers the O(N log N) Cooley-Tukey FFT algorithm to machine precision, for dimensions N up to 1024. Furthermore, our method can be incorporated as a lightweight replacement of generic matrices in machine learning pipelines to learn efficient and compressible transformations. On a standard task of compressing a single hidden-layer network, our method exceeds the classification accuracy of unconstrained matrices on CIFAR-10 by 3.9 points -- the first time a structured approach has done so -- with 4X faster inference speed and 40X fewer parameters.

The success of large language models (LLMs) can be attributed in part to their ability to efficiently store factual knowledge as key-value mappings within their MLP parameters. Recent work has proposed explicit weight constructions to build such fact-storing MLPs, providing an improved understanding of LLM fact storage mechanisms. In this paper, we introduce an MLP construction framework that improves over previous constructions in three areas: it 1) works for all but a measure-zero set of feasible input-output pairs, 2) achieves asymptotically optimal parameter efficiency matching information-theoretic bounds for some embeddings, and 3) maintains usability within Transformers for factual recall. Through our improvements, we 1) discover a metric on value embeddings that characterizes facts-per-parameter scaling for both constructed and gradient-descent-trained MLPs, 2) identify a simple encoder-decoder mechanism that empirically matches gradient-descent MLP facts-per-parameter asymptotics across all the inputs and outputs we test, and 3) uncover a fundamental tradeoff between an MLP's fact-storage capacity and its usability within Transformers. Finally, we demonstrate a proof-of-concept application of fact-storing MLPs: modular fact editing on one-layer Transformers by replacing entire MLPs at once.

Inference-time techniques are emerging as highly effective tools to enhance large language model (LLM) capabilities. However, best practices for developing systems that combine these techniques remain underdeveloped due to our limited understanding of the utility of individual inference-time techniques and the interactions between them. Additionally, efficiently and automatically searching the space of model choices, inference-time techniques, and their compositions is challenging due to the large design space. To address these challenges, we introduce Archon, a modular framework for selecting, combining, and stacking layers of inference-time techniques to construct optimized LLM systems for target benchmarks. Rather than relying on a single LLM called once, we leverage a diverse set of LLMs and inference-time techniques, creating LLM systems greater than the sum of their parts. Archon defines an extensible design space, encompassing techniques such as generation ensembling, repeated sampling, ranking, fusion, critiquing, verification, and unit testing. It transforms the problem of building LLM systems into a hyperparameter optimization objective. Given the available LLMs, inference-time techniques, and compute budget, Archon utilizes hyperparameter search techniques to discover optimized architectures for target benchmark(s). We evaluate Archon architectures across a range of instruction-following, reasoning, and coding benchmarks, including MT-Bench, Arena-Hard-Auto, AlpacaEval 2.0, MixEval, MixEval Hard, MATH, and CodeContests. Archon architectures outperform frontier models, such as GPT-4o and Claude 3.5 Sonnet, on these benchmarks, achieving an average accuracy increase of 15.1 percentage points by using all available LLMs. We make our code and datasets available publicly on Github: https://github.com/ScalingIntelligence/Archon.

We present the third data release of the European Space Agency's Gaia mission, GDR3. The GDR3 catalogue is the outcome of the processing of raw data collected with the Gaia instruments during the first 34 months of the mission by the Gaia Data Processing and Analysis Consortium. The GDR3 catalogue contains the same source list, celestial positions, proper motions, parallaxes, and broad band photometry in the G, G_{BP}, and G_{RP} pass-bands already present in the Early Third Data Release. GDR3 introduces an impressive wealth of new data products. More than 33 million objects in the ranges G_{rvs} < 14 and 3100 <T_{eff} <14500 , have new determinations of their mean radial velocities based on data collected by Gaia. We provide G_{rvs} magnitudes for most sources with radial velocities, and a line broadening parameter is listed for a subset of these. Mean Gaia spectra are made available to the community. The GDR3 catalogue includes about 1 million mean spectra from the radial velocity spectrometer, and about 220 million low-resolution blue and red prism photometer BPRP mean spectra. The results of the analysis of epoch photometry are provided for some 10 million sources across 24 variability types. GDR3 includes astrophysical parameters and source class probabilities for about 470 million and 1500 million sources, respectively, including stars, galaxies, and quasars. Orbital elements and trend parameters are provided for some 800,000 astrometric, spectroscopic and eclipsing binaries. More than 150,000 Solar System objects, including new discoveries, with preliminary orbital solutions and individual epoch observations are part of this release. Reflectance spectra derived from the epoch BPRP spectral data are published for about 60\,000 asteroids. Finally, an additional data set is provided, namely the Gaia Andromeda Photometric Survey (abridged)

We present SegNeXt, a simple convolutional network architecture for semantic segmentation. Recent transformer-based models have dominated the field of semantic segmentation due to the efficiency of self-attention in encoding spatial information. In this paper, we show that convolutional attention is a more efficient and effective way to encode contextual information than the self-attention mechanism in transformers. By re-examining the characteristics owned by successful segmentation models, we discover several key components leading to the performance improvement of segmentation models. This motivates us to design a novel convolutional attention network that uses cheap convolutional operations. Without bells and whistles, our SegNeXt significantly improves the performance of previous state-of-the-art methods on popular benchmarks, including ADE20K, Cityscapes, COCO-Stuff, Pascal VOC, Pascal Context, and iSAID. Notably, SegNeXt outperforms EfficientNet-L2 w/ NAS-FPN and achieves 90.6% mIoU on the Pascal VOC 2012 test leaderboard using only 1/10 parameters of it. On average, SegNeXt achieves about 2.0% mIoU improvements compared to the state-of-the-art methods on the ADE20K datasets with the same or fewer computations. Code is available at https://github.com/uyzhang/JSeg (Jittor) and https://github.com/Visual-Attention-Network/SegNeXt (Pytorch).

The field of relation extraction (RE) is experiencing a notable shift towards generative relation extraction (GRE), leveraging the capabilities of large language models (LLMs). However, we discovered that traditional relation extraction (RE) metrics like precision and recall fall short in evaluating GRE methods. This shortfall arises because these metrics rely on exact matching with human-annotated reference relations, while GRE methods often produce diverse and semantically accurate relations that differ from the references. To fill this gap, we introduce GenRES for a multi-dimensional assessment in terms of the topic similarity, uniqueness, granularity, factualness, and completeness of the GRE results. With GenRES, we empirically identified that (1) precision/recall fails to justify the performance of GRE methods; (2) human-annotated referential relations can be incomplete; (3) prompting LLMs with a fixed set of relations or entities can cause hallucinations. Next, we conducted a human evaluation of GRE methods that shows GenRES is consistent with human preferences for RE quality. Last, we made a comprehensive evaluation of fourteen leading LLMs using GenRES across document, bag, and sentence level RE datasets, respectively, to set the benchmark for future research in GRE

Recent advances in image generation, often driven by proprietary systems like GPT-4o Image Gen, regularly introduce new capabilities that reshape how users interact with these models. Existing benchmarks often lag behind and fail to capture these emerging use cases, leaving a gap between community perceptions of progress and formal evaluation. To address this, we present ECHO, a framework for constructing benchmarks directly from real-world evidence of model use: social media posts that showcase novel prompts and qualitative user judgments. Applying this framework to GPT-4o Image Gen, we construct a dataset of over 31,000 prompts curated from such posts. Our analysis shows that ECHO (1) discovers creative and complex tasks absent from existing benchmarks, such as re-rendering product labels across languages or generating receipts with specified totals, (2) more clearly distinguishes state-of-the-art models from alternatives, and (3) surfaces community feedback that we use to inform the design of metrics for model quality (e.g., measuring observed shifts in color, identity, and structure). Our website is at https://echo-bench.github.io.

Text-to-3D generation has made remarkable progress recently, particularly with methods based on Score Distillation Sampling (SDS) that leverages pre-trained 2D diffusion models. While the usage of classifier-free guidance is well acknowledged to be crucial for successful optimization, it is considered an auxiliary trick rather than the most essential component. In this paper, we re-evaluate the role of classifier-free guidance in score distillation and discover a surprising finding: the guidance alone is enough for effective text-to-3D generation tasks. We name this method Classifier Score Distillation (CSD), which can be interpreted as using an implicit classification model for generation. This new perspective reveals new insights for understanding existing techniques. We validate the effectiveness of CSD across a variety of text-to-3D tasks including shape generation, texture synthesis, and shape editing, achieving results superior to those of state-of-the-art methods. Our project page is https://xinyu-andy.github.io/Classifier-Score-Distillation

High-quality datasets of real-world vulnerabilities are enormously valuable for downstream research in software security, but existing datasets are typically small, require extensive manual effort to update, and are missing crucial features that such research needs. In this paper, we introduce ARVO: an Atlas of Reproducible Vulnerabilities in Open-source software. By sourcing vulnerabilities from C/C++ projects that Google's OSS-Fuzz discovered and implementing a reliable re-compilation system, we successfully reproduce more than 5,000 memory vulnerabilities across over 250 projects, each with a triggering input, the canonical developer-written patch for fixing the vulnerability, and the ability to automatically rebuild the project from source and run it at its vulnerable and patched revisions. Moreover, our dataset can be automatically updated as OSS-Fuzz finds new vulnerabilities, allowing it to grow over time. We provide a thorough characterization of the ARVO dataset, show that it can locate fixes more accurately than Google's own OSV reproduction effort, and demonstrate its value for future research through two case studies: firstly evaluating real-world LLM-based vulnerability repair, and secondly identifying over 300 falsely patched (still-active) zero-day vulnerabilities from projects improperly labeled by OSS-Fuzz.

Despite the significant advancements in keyphrase extraction and keyphrase generation methods, the predominant approach for evaluation only relies on exact matching with human references and disregards reference-free attributes. This scheme fails to recognize systems that generate keyphrases that are semantically equivalent to the references or keyphrases that have practical utility. To better understand the strengths and weaknesses of different keyphrase systems, we propose a comprehensive evaluation framework consisting of six critical dimensions: naturalness, faithfulness, saliency, coverage, diversity, and utility. For each dimension, we discuss the desiderata and design semantic-based metrics that align with the evaluation objectives. Rigorous meta-evaluation studies demonstrate that our evaluation strategy correlates better with human preferences compared to a range of previously used metrics. Using this framework, we re-evaluate 18 keyphrase systems and further discover that (1) the best model differs in different dimensions, with pre-trained language models achieving the best in most dimensions; (2) the utility in downstream tasks does not always correlate well with reference-based metrics; and (3) large language models exhibit a strong performance in reference-free evaluation.

Terminology correctness is important in the downstream application of machine translation, and a prevalent way to ensure this is to inject terminology constraints into a translation system. In our submission to the WMT 2023 terminology translation task, we adopt a translate-then-refine approach which can be domain-independent and requires minimal manual efforts. We annotate random source words with pseudo-terminology translations obtained from word alignment to first train a terminology-aware model. Further, we explore two post-processing methods. First, we use an alignment process to discover whether a terminology constraint has been violated, and if so, we re-decode with the violating word negatively constrained. Alternatively, we leverage a large language model to refine a hypothesis by providing it with terminology constraints. Results show that our terminology-aware model learns to incorporate terminologies effectively, and the large language model refinement process can further improve terminology recall.

Large Language Models (LLMs) excel in diverse tasks but often underperform in specialized fields due to limited domain-specific or proprietary corpus. Continual pre-training (CPT) enhances LLM capabilities by imbuing new domain-specific or proprietary knowledge while replaying general corpus to prevent catastrophic forgetting. The data mixture ratio of general corpus and domain-specific corpus, however, has been chosen heuristically, leading to sub-optimal training efficiency in practice. In this context, we attempt to re-visit the scaling behavior of LLMs under the hood of CPT, and discover a power-law relationship between loss, mixture ratio, and training tokens scale. We formalize the trade-off between general and domain-specific capabilities, leading to a well-defined Critical Mixture Ratio (CMR) of general and domain data. By striking the balance, CMR maintains the model's general ability and achieves the desired domain transfer, ensuring the highest utilization of available resources. Considering the balance between efficiency and effectiveness, CMR can be regarded as the optimal mixture ratio. Through extensive experiments, we ascertain the predictability of CMR, propose CMR scaling law and have substantiated its generalization. These findings offer practical guidelines for optimizing LLM training in specialized domains, ensuring both general and domain-specific performance while efficiently managing training resources.

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a trade-off: they either heavily rely on LLM-as-judge evaluations of automatically generated research outputs or optimize convenient yet isolated performance metrics that provide coarse proxies for scientific insight. To address this gap, we introduce FIRE-Bench (Full-cycle Insight Rediscovery Evaluation), a benchmark that evaluates agents through the rediscovery of established findings from recent, high-impact machine learning research. Agents are given only a high-level research question extracted from a published, verified study and must autonomously explore ideas, design experiments, implement code, execute their plans, and derive conclusions supported by empirical evidence. We evaluate a range of state-of-the-art agents with frontier LLMs backbones like gpt-5 on FIRE-Bench. Our results show that full-cycle scientific research remains challenging for current agent systems: even the strongest agents achieve limited rediscovery success (<50 F1), exhibit high variance across runs, and display recurring failure modes in experimental design, execution, and evidence-based reasoning. FIRE-Bench provides a rigorous and diagnostic framework for measuring progress toward reliable agent-driven scientific discovery.

Scientific archives now contain hundreds of petabytes of data across genomics, ecology, climate, and molecular biology that could reveal undiscovered patterns if systematically analyzed at scale. Large-scale, weakly-supervised datasets in language and vision have driven the development of foundation models whose internal representations encode structure (patterns, co-occurrences and statistical regularities) beyond their training objectives. Most existing methods extract structure only for pre-specified targets; they excel at confirmation but do not support open-ended discovery of unknown patterns. We ask whether sparse autoencoders (SAEs) can enable open-ended feature discovery from foundation model representations. We evaluate this question in controlled rediscovery studies, where the learned SAE features are tested for alignment with semantic concepts on a standard segmentation benchmark and compared against strong label-free alternatives on concept-alignment metrics. Applied to ecological imagery, the same procedure surfaces fine-grained anatomical structure without access to segmentation or part labels, providing a scientific case study with ground-truth validation. While our experiments focus on vision with an ecology case study, the method is domain-agnostic and applicable to models in other sciences (e.g., proteins, genomics, weather). Our results indicate that sparse decomposition provides a practical instrument for exploring what scientific foundation models have learned, an important prerequisite for moving from confirmation to genuine discovery.

While machine-learned models are now routinely employed to facilitate astronomical inquiry, model inputs tend to be limited to a primary data source (namely images or time series) and, in the more advanced approaches, some metadata. Yet with the growing use of wide-field, multiplexed observational resources, individual sources of interest often have a broad range of observational modes available. Here we construct an astronomical multimodal dataset and propose AstroM^3, a self-supervised pre-training approach that enables a model to learn from multiple modalities simultaneously. Specifically, we extend the CLIP (Contrastive Language-Image Pretraining) model to a trimodal setting, allowing the integration of time-series photometry data, spectra, and astrophysical metadata. In a fine-tuning supervised setting, our results demonstrate that CLIP pre-training improves classification performance for time-series photometry, where accuracy increases from 84.6% to 91.5%. Furthermore, CLIP boosts classification accuracy by up to 12.6% when the availability of labeled data is limited, showing the effectiveness of leveraging larger corpora of unlabeled data. In addition to fine-tuned classification, we can use the trained model in other downstream tasks that are not explicitly contemplated during the construction of the self-supervised model. In particular we show the efficacy of using the learned embeddings for misclassifications identification, similarity search, and anomaly detection. One surprising highlight is the "rediscovery" of Mira subtypes and two Rotational variable subclasses using manifold learning and dimension reduction algorithm. To our knowledge this is the first construction of an n>2 mode model in astronomy. Extensions to n>3 modes is naturally anticipated with this approach.

Large language models (LLMs) demonstrate impressive capabilities across a wide range of tasks, yet it remains unclear whether such success reflects genuine reasoning or sophisticated recall. We introduce AInstein, a framework for testing whether LLMs can generate valid solutions to AI research problems using only their pretrained parametric knowledge -- without domain-specific fine-tuning, retrieval augmentation, or other external aids. Our approach extracts distilled problem statements from high-quality ICLR 2025 submissions, then tasks specialized solver agents with proposing and refining technical solutions through iterative critique loops, mimicking the cycles of proposal, review, and revision central to scientific inquiry. We evaluate AInstein on 1,214 ICLR papers stratified by acceptance tier (Oral, Spotlight, Poster), using an LLM-as-a-judge paradigm guided by a structured rubric, complemented by targeted manual checks. Performance is assessed with three metrics: Success Rate (does the solution address the problem?), Rediscovery (does it align with human-proposed methods?), and Novelty (does it yield valid, original approaches?). Our results reveal that while LLMs can rediscover feasible solutions and occasionally propose creative alternatives, their problem-solving ability remains fragile and highly sensitive to framing. These findings provide the first large-scale evidence on the extent to which LLMs can act as autonomous scientific problem-solvers, highlighting both their latent potential and their current limitations.

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box objectives in molecular discovery, traverse chemical space by performing random mutations and crossovers, leading to a large number of expensive objective evaluations. In this work, we ameliorate this shortcoming by incorporating chemistry-aware Large Language Models (LLMs) into EAs. Namely, we redesign crossover and mutation operations in EAs using LLMs trained on large corpora of chemical information. We perform extensive empirical studies on both commercial and open-source models on multiple tasks involving property optimization, molecular rediscovery, and structure-based drug design, demonstrating that the joint usage of LLMs with EAs yields superior performance over all baseline models across single- and multi-objective settings. We demonstrate that our algorithm improves both the quality of the final solution and convergence speed, thereby reducing the number of required objective evaluations. Our code is available at http://github.com/zoom-wang112358/MOLLEO

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.